4,4-Dimethyl-2-pentanol

CAT: 0024-sc-233013Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-233013Size:1 g

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CAS Number

6144-93-0

Chemical Information

4,4-Dimethylpentan-2-ol

CAS Number	6144-93-0
PubChem CID	110789
IUPAC Name	4,4-dimethylpentan-2-ol
Molecular Formula	C7H16O
Molecular Weight	116.20
XLogP	2.1
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	61

SMILES

CC(CC(C)(C)C)O

InChI

InChI=1S/C7H16O/c1-6(8)5-7(2,3)4/h6,8H,5H2,1-4H3

InChIKey

OIBKGNPMOMMSSI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6144-93-0

CID: 110789

Formula: C7H16O

MW: 116.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	116.20
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	116.120115130
Monoisotopic Mass	116.120115130
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	61.3
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