2-Methyl-3-octanol

CAT: 0024-sc-486430Size: 10 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-486430Size:10 mL

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CAS Number

26533-34-6

Chemical Information

2-Methyloctan-3-ol

CAS Number	26533-34-6
PubChem CID	98464
IUPAC Name	2-methyloctan-3-ol
Molecular Formula	C9H20O
Molecular Weight	144.25
XLogP	3.3
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	69

SMILES

CCCCCC(C(C)C)O

InChI

InChI=1S/C9H20O/c1-4-5-6-7-9(10)8(2)3/h8-10H,4-7H2,1-3H3

InChIKey

DIVBBSLQUDHECU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 26533-34-6

CID: 98464

Formula: C9H20O

MW: 144.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	144.25
XLogP3	3.3
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	69.1
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