(1R,3S,5R)-3-Hydroxy-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane - CAS 19894-98-5
Catalog: |
BB015367 |
Product Name: |
(1R,3S,5R)-3-Hydroxy-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane |
CAS: |
19894-98-5 |
Synonyms: |
(1R,3S,5R)-6,6-dimethyl-2-methylene-3-bicyclo[3.1.1]heptanol; (1R,3S,5R)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol |
IUPAC Name: | (1R,3S,5R)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol |
Description: | (1R,3S,5R)-3-Hydroxy-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane (CAS# 19894-98-5 ) is a useful research chemical. |
Molecular Weight: | 152.23 |
Molecular Formula: | C10H16O |
Canonical SMILES: | CC1(C2CC1C(=C)C(C2)O)C |
InChI: | InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9,11H,1,4-5H2,2-3H3/t7-,8+,9+/m1/s1 |
InChI Key: | LCYXQUJDODZYIJ-VGMNWLOBSA-N |
Boiling Point: | 217.5 °C at 760 mmHg |
Melting Point: | 5 °C |
Density: | 1 g/cm3 |
Solubility: | 958.1 mg/L at 25 °C (est) |
Appearance: | Liquid |
LogP: | 1.96950 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22410416 | 20120312 | Correlation between chemical composition and antibacterial activity of essential oils from fifteen Eucalyptus species growing in the Korbous and Jbel Abderrahman arboreta (North East Tunisia) | Molecules (Basel, Switzerland) |
21861767 | 20120101 | Essential oil composition of Eucalyptus procera Dehnh. leaves from central Iran | Natural product research |
22007862 | 20120101 | Chemical composition and herbicidal activity of the essential oil from a Cistus ladanifer L. population from Spain | Natural product research |
22376220 | 20120101 | In\xa0vitro biological activities of the essential oil from the 'resurrection plant' Myrothamnus moschatus (Baillon) Niedenzu endemic to Madagascar | Natural product research |
22164793 | 20111001 | Characterization of essential oil and effects on growth of Verbena gratissima plants treated with homeopathic phosphorus | Natural product communications |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 3 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.120115130 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.120115130 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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