2-Phenyldodecane - CAS 2719-61-1
Catalog: |
BB054329 |
Product Name: |
2-Phenyldodecane |
CAS: |
2719-61-1 |
Synonyms: |
Benzene, (1-methylundecyl)-; Dodecane, 2-phenyl-; 2-phenyl dodecane; (1-Methylundecyl)benzene; 2-Dodecanylbenzene; 2-Dodecanylbenzol |
IUPAC Name: | dodecan-2-ylbenzene |
Description: | 2-Phenyldodecane is a natural product found in Acca sellowiana. |
Molecular Weight: | 246.43 |
Molecular Formula: | C18H30 |
Canonical SMILES: | CCCCCCCCCCC(C)C1=CC=CC=C1 |
InChI: | InChI=1S/C18H30/c1-3-4-5-6-7-8-9-11-14-17(2)18-15-12-10-13-16-18/h10,12-13,15-17H,3-9,11,14H2,1-2H3 |
InChI Key: | VRPRIAVYSREHAN-UHFFFAOYSA-N |
Boiling Point: | 143°C at 1.8 Torr |
Purity: | ≥95% |
Density: | 0.8488 g/cm3 at 30°C |
Vapor Pressure: | 0.000584 [mmHg] |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.234750957 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.234750957 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 7.9 |
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