3-Decanol

CAT: 0127-OR1027032-04Size: 100 gDry Ice: NoHazardous: No

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CAT#:0127-OR1027032-04Size:100 g

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CAS Number

1565-81-7

Synonyms

Decan-3-ol

Purity

98%

Smiles

CCCCCCCC(CC)O

Chemical Information

3-Decanol

Decan-3-ol is a secondary alcohol that is decane substituted by a hydroxy group at position 3. It has a role as an Arabidopsis thaliana metabolite, a pheromone, a flavouring agent and an animal metabolite. It is a decanol and a secondary alcohol.

CAS Number	1565-81-7
PubChem CID	519158
IUPAC Name	decan-3-ol
Molecular Formula	C10H22O
Molecular Weight	158.28
XLogP	3.9
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	7
Heavy Atom Count	11
Formal Charge	0
Complexity	71

SMILES

CCCCCCCC(CC)O

InChI

InChI=1S/C10H22O/c1-3-5-6-7-8-9-10(11)4-2/h10-11H,3-9H2,1-2H3

InChIKey

ICEQLCZWZXUUIJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1565-81-7

CID: 519158

Formula: C10H22O

MW: 158.28

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	158.28
XLogP3	3.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	7
Exact Mass	158.167065321
Monoisotopic Mass	158.167065321
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	71.3
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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OR1046579-01	2-Butyl-1-decanol
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Catalog	Name
sc-266630	3-Decanol
MBS5780966-01	Decanol
TRC-M493320-250MG	3-Methyl-1-decanol
T21104	4-Decanol
TRC-D212540-10G	1-Decanol
sc-489861	5-Decanol
HY-W284557	2-Decanol

3-Decanol

Chemical Information

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