4-Hexadecanol

CAT: 0127-OR1059951-03Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1059951-03Size:1 g

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CAS Number

19781-43-2

Purity

98%

Smiles

CCCC(O)CCCCCCCCCCCC

Chemical Information

4-Hexadecanol

Hexadecan-4-ol is a secondary fatty alcohol that is hexadecane substituted by a hydroxy group at position 4. It is a secondary fatty alcohol and a hexadecanol.

CAS Number	19781-43-2
PubChem CID	34541
IUPAC Name	hexadecan-4-ol
Molecular Formula	C16H34O
Molecular Weight	242.44
XLogP	7
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	13
Heavy Atom Count	17
Formal Charge	0
Complexity	133

SMILES

CCCCCCCCCCCCC(CCC)O

InChI

InChI=1S/C16H34O/c1-3-5-6-7-8-9-10-11-12-13-15-16(17)14-4-2/h16-17H,3-15H2,1-2H3

InChIKey

JIMMILCKVYOFET-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19781-43-2

CID: 34541

Formula: C16H34O

MW: 242.44

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	242.44
XLogP3	7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	13
Exact Mass	242.260965704
Monoisotopic Mass	242.260965704
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	133
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

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MBS393340-01	Hexadecanol
FH37717-01	1-Hexadecanol
AR-D06603-01	2-Hexadecanol
HY-W671000-01	8-Hexadecanol
MBS393874	Hexadecanol-D31

4-Hexadecanol

Chemical Information

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