2,2-Dimethyl-3-pentanol

CAT: 0024-sc-230707Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-230707Size:5 g

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CAS Number

3970-62-5

Chemical Information

2,2-Dimethyl-3-pentanol

CAS Number	3970-62-5
PubChem CID	19871
IUPAC Name	2,2-dimethylpentan-3-ol
Molecular Formula	C7H16O
Molecular Weight	116.20
XLogP	2.2
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

CCC(C(C)(C)C)O

InChI

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

InChIKey

HMSVXZJWPVIVIV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3970-62-5

CID: 19871

Formula: C7H16O

MW: 116.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	116.20
XLogP3	2.2
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