4-Methyl-4-octanol

CAT: 0024-sc-277507Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-277507Size:5 g

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CAS Number

23418-37-3

Chemical Information

4-Methyloctan-4-ol

CAS Number	23418-37-3
PubChem CID	141031
IUPAC Name	4-methyloctan-4-ol
Molecular Formula	C9H20O
Molecular Weight	144.25
XLogP	2.8
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Heavy Atom Count	10
Formal Charge	0
Complexity	80

SMILES

CCCCC(C)(CCC)O

InChI

InChI=1S/C9H20O/c1-4-6-8-9(3,10)7-5-2/h10H,4-8H2,1-3H3

InChIKey

RXSIKQJQLQRQQY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 23418-37-3

CID: 141031

Formula: C9H20O

MW: 144.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	144.25
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	144.151415257
Monoisotopic Mass	144.151415257
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	80.8
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