2,5-Dimethyl-2,5-hexanediol

CAT: 0024-sc-223474ASize: 500 gDry Ice: NoHazardous: No

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CAT#:0024-sc-223474ASize:500 g

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CAS Number

110-03-2

Chemical Information

2,5-Dimethyl-2,5-hexanediol

CAS Number	110-03-2
PubChem CID	8031
IUPAC Name	2,5-dimethylhexane-2,5-diol
Molecular Formula	C8H18O2
Molecular Weight	146.23
XLogP	0.8
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	10
Formal Charge	0
Complexity	91

SMILES

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

InChI

InChI=1S/C8H18O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,5-6H2,1-4H3

InChIKey

ZWNMRZQYWRLGMM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 110-03-2

CID: 8031

Formula: C8H18O2

MW: 146.23

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	146.23
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	146.130679813
Monoisotopic Mass	146.130679813
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	91.8
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