Benzene, (1-propyloctyl)

Benzene, (1-propyloctyl)
Compound Structure:
Synonyms: 4-Phenylundecane;Benzene, (1-propyloctyl)-;4536-86-1;Undecane, 4-phenyl-;undecan-4-ylbenzene;(Undecan-4-yl)benzene;(1-Propyloctyl)benzene
Compound ID: NMPC-632
PubChem ID:

20654
Molecular Formula: C17H28
Canonical SMILES: CCCCCCCC(CCC)C1=CC=CC=C1
InChIKey: NSQAXMRLBNXEHK-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed 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

0Ų

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

Source: PubChem                                                                                             
Source Species: Spondias mombin
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