Heptacosane

CAT: 0926-FH74859-02Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-FH74859-02Size:5 g

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CAS Number

593-49-7

MDL Number

MFCD00009862

Smiles

CCCCCCCCCCCCCCCCCCCCCCCCCCC

Molecular Formula

C27H56

Molecular Weight

380.73 g/mol

Controlled

Chemical Information

Heptacosane

Heptacosane is a straight-chain alkane with 27 carbon atoms. It has a role as a volatile oil component and a plant metabolite.

CAS Number	593-49-7
PubChem CID	11636
IUPAC Name	heptacosane
Molecular Formula	C27H56
Molecular Weight	380.7
XLogP	14.2
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	24
Heavy Atom Count	27
Formal Charge	0
Complexity	208

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C27H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3

InChIKey

BJQWYEJQWHSSCJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 593-49-7

CID: 11636

Formula: C27H56

MW: 380.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	380.7
XLogP3	14.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	24
Exact Mass	380.438201786
Monoisotopic Mass	380.438201786
Topological Polar Surface Area	0 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	208
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

Catalog	Name
FH181084	Heptacosan-2-one