Dodecane 6-phenyl

Compound Structure:

Synonyms:

dodecan-6-ylbenzene; 6-PHENYLDODECANE; Benzene, (1-pentylheptyl)-; Dodecane, 6-phenyl-; (1-Pentylheptyl)benzene; alpha-pentylheptylbenzene; 1-(dodecan-6-yl)benzene.

Compound ID:

NMPC-982

PubChem ID:

17629

Molecular Formula:

C18H30

Canonical SMILES:

CCCCCCC(CCCCC)C1=CC=CC=C1

InChIKey:

ZYHJQFMTTFCBKH-UHFFFAOYSA-N

About the compound:

GHS Hazard Statements

• H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

• H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	246.4 g/mol
XLogP3-AA	7.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	10
Exact Mass	246.234750957 g/mol
Monoisotopic Mass	246.234750957 g/mol
Topological Polar Surface Area	0Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	167
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Vapor Pressure	0.000584 [mmHg]

Source: PubChem

Source Species:

Hippocratea indica

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