14-Heptacosanone

CAT: 0127-OR1025220-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1025220-01Size:5 g

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CAS Number

542-50-7

Synonyms

Heptacosan-14-one

Purity

98%

Smiles

CCCCCCCCCCCCCC(=O)CCCCCCCCCCCCC

Chemical Information

14-Heptacosanone

heptacosan-14-one has been reported in Styrax officinalis with data available.

CAS Number	542-50-7
PubChem CID	10955
IUPAC Name	heptacosan-14-one
Molecular Formula	C27H54O
Molecular Weight	394.7
XLogP	12.4
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	24
Heavy Atom Count	28
Formal Charge	0
Complexity	269

SMILES

CCCCCCCCCCCCCC(=O)CCCCCCCCCCCCC

InChI

InChI=1S/C27H54O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(28)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3

InChIKey

VCZMOZVQLARCOE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 542-50-7

CID: 10955

Formula: C27H54O

MW: 394.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	394.7
XLogP3	12.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	24
Exact Mass	394.417466342
Monoisotopic Mass	394.417466342
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	269
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
OR1073628-01	14-Methoxy-14-oxotetradecanoic acid
OR1049543-01	14- (Benzyloxy) -14-oxotetradecanoic acid
OR303208-01	14- (tert-Butoxy) -14-oxotetradecanoic acid
BUP08093-01	SAE-14
BUP12681-01	XST-14
BUP06998-01	JAK3-IN-14
BUP05434-01	FAK-IN-14
BUP21109-01	JAK-IN-14
BIPG1679-01	PEG-14
BUP21974-01	Cortistatin-14