(1S,3R,5S)-3-Hydroxy-6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane - CAS 547-61-5
Catalog: |
BB028813 |
Product Name: |
(1S,3R,5S)-3-Hydroxy-6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane |
CAS: |
547-61-5 |
Synonyms: |
(1S,3R,5S)-6,6-dimethyl-2-methylene-3-bicyclo[3.1.1]heptanol; (1S,3R,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol |
IUPAC Name: | (1S,3R,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol |
Description: | (1S,3R,5S)-3-Hydroxy-6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane (CAS# 547-61-5) 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+/m0/s1 |
InChI Key: | LCYXQUJDODZYIJ-DJLDLDEBSA-N |
Boiling Point: | 217.5 °C at 760 mmHg |
Density: | 1 g/cm3 |
LogP: | 1.96950 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P310, P321, P332+P313, and P362 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
15776406 | 20050701 | Enhancement of attraction and trap catches of the old-house borer, Hylotrupes bajulus (Coleoptera: Cerambycidae), by combination of male sex pheromone and monoterpenes | Pest management science |
15113148 | 20040505 | Ovicidal and adulticidal activity of Eucalyptus globulus leaf oil terpenoids against Pediculus humanus capitis (Anoplura: Pediculidae) | Journal of agricultural and food chemistry |
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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