5-Phenylundecane

Compound Structure:

Synonyms:

5-Phenylundecane;4537-15-9;undecan-5-ylbenzene;Benzene, (1-butylheptyl)-;Undecane, 5-phenyl-;Benzene,(1-butylheptyl)-;(1-Butylheptyl)-benzene;(1-BUTYLHEPTYL)BENZENE;alpha-butylheptylbenzene;(Undecan-5-yl)benzene

Compound ID:

NMPC-621

PubChem ID:

20661

Molecular Formula:

C17H28

Canonical SMILES:

CCCCCCC(CCCC)C1=CC=CC=C1

InChIKey:

RRPCXIBGXYGQNC-UHFFFAOYSA-N

About the compound:

5-phenylundecane is an alkylbenzene comprising undecane substituted at position 5 by a phenyl group.

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

Property Name	Property Value
Molecular Weight	232.4 g/mol
XLogP3-AA	7.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	9
Exact Mass	232.219100893 g/mol
Monoisotopic Mass	232.219100893 g/mol
Topological Polar Surface Area	0Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	155
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	0.00155 [mmHg]

Source: PubChem

Source Species:

Spondias mombin

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