3-Propyl-1-octanol

CAT: 0926-NBA51412Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-NBA51412Size:250 mg

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CAS Number

38514-12-4

Smiles

CCCCCC (CCC) CCO

Molecular Formula

C11H24O

Molecular Weight

172.31 g/mol

Controlled

Chemical Information

3-Propyl-1-octanol

CAS Number	38514-12-4
PubChem CID	22492569
IUPAC Name	3-propyloctan-1-ol
Molecular Formula	C11H24O
Molecular Weight	172.31
XLogP	4.5
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	8
Heavy Atom Count	12
Formal Charge	0
Complexity	81

SMILES

CCCCCC(CCC)CCO

InChI

InChI=1S/C11H24O/c1-3-5-6-8-11(7-4-2)9-10-12/h11-12H,3-10H2,1-2H3

InChIKey

CNPWHPYGZSAAOH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 38514-12-4

CID: 22492569

Formula: C11H24O

MW: 172.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.31
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	8
Exact Mass	172.182715385
Monoisotopic Mass	172.182715385
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	81.1
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

Catalog	Name
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FC19988-01	8-Chloro-1-octanol
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