Decane m-pyrol

Compound Structure:

Synonyms:

(1-Butylhexyl)-benzene; (5-Decyl)benzene; (Decan-5-yl)benzene; 5-Phenyldecane; Benzene, (1-butylhexyl)-; Benzene,(1-butylhexyl)-; Decane, 5-phenyl-; decan-5-ylbenzene

Compound ID:

NMPC-951

PubChem ID:

20657

Molecular Formula:

C16H26

Canonical SMILES:

CCCCCC(CCCC)C1=CC=CC=C1

InChIKey:

CDOBABYRHNVZQG-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	218.38 g/mol
XLogP3-AA	6.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	8
Exact Mass	218.203450829 g/mol
Monoisotopic Mass	218.203450829 g/mol
Topological Polar Surface Area	0Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	144
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
Hippocratea indica

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