5-methylnonan-5-ol

CAT: 0931-T84024-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T84024-01Size:25 mg

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CAS Number

33933-78-7

Target

Others

Related Pathways

Others

Purity

0.9796

Bioactivity

5-methylnonan-5-ol (5-methyl-5-nonanol) is an intermediate in the production of 5-nonanol-5-methyl-5-methacrylate and is a volatile substance in the endophyte MC_25L of orange leaves.

Smiles

OC(C)(CCCC)CCCC

Molecular Formula

C10H22O

Molecular Weight

158.28

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

5-Methyl-5-nonanol

CAS Number	33933-78-7
PubChem CID	141860
IUPAC Name	5-methylnonan-5-ol
Molecular Formula	C10H22O
Molecular Weight	158.28
XLogP	3.4
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Heavy Atom Count	11
Formal Charge	0
Complexity	80

SMILES

CCCCC(C)(CCCC)O

InChI

InChI=1S/C10H22O/c1-4-6-8-10(3,11)9-7-5-2/h11H,4-9H2,1-3H3

InChIKey

AGSIGVZAVLOKLP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 33933-78-7

CID: 141860

Formula: C10H22O

MW: 158.28

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	158.28
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Exact Mass	158.167065321
Monoisotopic Mass	158.167065321
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	80.9
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

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BUP11378-01	5-methylnonan-5-ol
GTR19243979-01	4-methylnonan-5-ol
BUP11343-01	3-Methylnonan-1-ol
TCA52685-01	8-Methylnonan-1-ol
OR1006369	8-Methylnonan-1-ol,98% (mixtures)
OR1048733-01	5-Butyldodecan-5-ol
sc-319098	5,5,5-Trifluoropentan-1-ol
PC450130-01	5,5,5-Trifluoropentan-2-ol
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OR78241-01	5,5-Dimethylpyrrolidin-3-ol

5-methylnonan-5-ol

Chemical Information

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