Heptadecane

Compound Structure:

Synonyms:

Heptadecane; n-Heptadecane; Heptadekan; Hexadecane, methyl-; Heptadecane purum; Normal-heptadecane; Samarium(III) chloride hexahydrate

Compound ID:

NMPC-1100

PubChem ID:

12398

Molecular Formula:

C17H36

Canonical SMILES:

CCCCCCCCCCCCCCCCC

InChIKey:

NDJKXXJCMXVBJW-UHFFFAOYSA-N

About the compound:

Heptadecane is a straight-chain alkane with 17 carbon atoms. It is a component of essential oils from plants like Opuntialittoralis and Annonasquamosa. It has a role as a plant metabolite and a volatile oil component.

GHS Hazard Statements

H304 (98.8%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	240.5 g/mol
XLogP3	8.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	14
Exact Mass	240.281701148 g/mol
Monoisotopic Mass	240.281701148 g/mol
Topological Polar Surface Area	0Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	103
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Hexagonal leafs. (NTP, 1992)
Boiling Point	303 °C
Melting Point	72 °F (NTP, 1992)
Density	0.7780 g/cu cm at 20 °C
Solubility	Slightly soluble in ethanol, carbon tetrachloride; soluble in ethyl ether
Vapor Pressure	0.000228 [mmHg]

Source: PubChem

Source Species:

Crateva adansonii
Phyllanthus muellerianus
Urena lobata
Eucalyptus cloeziana
Mucuna pruriens

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