2,4-Dimethyl-2,4-pentanediol

CAT: 0024-sc-251850Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-251850Size:5 g

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CAS Number

24892-49-7

Chemical Information

2,4-Pentanediol, 2,4-dimethyl-

CAS Number	24892-49-7
PubChem CID	141153
IUPAC Name	2,4-dimethylpentane-2,4-diol
Molecular Formula	C7H16O2
Molecular Weight	132.20
XLogP	0.5
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	9
Formal Charge	0
Complexity	83

SMILES

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

InChI

InChI=1S/C7H16O2/c1-6(2,8)5-7(3,4)9/h8-9H,5H2,1-4H3

InChIKey

DBTGFWMBFZBBEF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 24892-49-7

CID: 141153

Formula: C7H16O2

MW: 132.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	132.20
XLogP3	0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	132.115029749
Monoisotopic Mass	132.115029749
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	83.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-231002	2,4-Pentanediol
sc-253343	(R, R) - (-) -2,4-Pentanediol
sc-255465	(R) - (-) -2-Methyl-2,4-pentanediol
sc-254301	2,2,4-Trimethyl-1,3-pentanediol
sc-223059	1,4-Pentanediol
sc-507093	2,2,4-Trimethyl-1,3-pentanediol-d6
sc-507093A	2,2,4-Trimethyl-1,3-pentanediol-d6
sc-222855	1,2-Pentanediol
sc-222855A	1,2-Pentanediol
sc-251813	2,2,4-Trimethyl-1,3-pentanediol diisobutyrate