(2S,3R)-2,3-dimethylpentane-1,3-diol

C7H16O2 — CID 15314348

IUPAC(2S,3R)-2,3-dimethylpentane-1,3-diol
SMILESCC[C@@](C)(O)[C@@H](C)CO
InChIInChI=1S/C7H16O2/c1-4-7(3,9)6(2)5-8/h6,8-9H,4-5H2,1-3H3/t6-,7+/m0/s1
InChIKeyRBNLKEZJTWJUAY-NKWVEPMBSA-N
MW132.20 g/mol
LogP0.78
Rot. Bonds3

About (2S,3R)-2,3-dimethylpentane-1,3-diol

(2S,3R)-2,3-dimethylpentane-1,3-diol (PubChem CID 15314348) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is (2S,3R)-2,3-dimethylpentane-1,3-diol.

Molecular Properties

Compound Name(2S,3R)-2,3-dimethylpentane-1,3-diol
PubChem CID15314348
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name(2S,3R)-2,3-dimethylpentane-1,3-diol
SMILESCC[C@@](C)(O)[C@@H](C)CO
InChIInChI=1S/C7H16O2/c1-4-7(3,9)6(2)5-8/h6,8-9H,4-5H2,1-3H3/t6-,7+/m0/s1
InChIKeyRBNLKEZJTWJUAY-NKWVEPMBSA-N
XLogP0.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 175238278
2-ethyl-2,3-dimethylbutane-1,4-diol
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CID 130698764
2,2-dimethylpropane;(2R)-2,3,3-trimethylbutan-1-ol
CID 158433518
3-methoxy-2,3-dimethylpentan-1-ol
CID 87273365
2-ethyl-2-(hydroxymethyl)-3-methylbutane-1,4-diol
CID 87645352
2,3-dimethyl-1-(2-trimethylsilylbutan-2-yloxy)pentan-3-ol
CID 91441933
2,3,5-trimethylhexane-1,3,4,5-tetrol
CID 140988285
3-amino-2,3-dimethylbutan-1-ol;hydrochloride
CID 173013656
3-(4-hydroxy-2,3-dimethylbutan-2-yl)oxy-2,3-dimethylbutan-1-ol
CID 87369520
2,2-dimethylpropane;2-methylpropan-1-ol
CID 158369394
ethanol;methanol;2-methylpropan-2-ol;propan-2-ol
CID 157184290

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3-dimethylpentane-1,3-diol?
The IUPAC name of (2S,3R)-2,3-dimethylpentane-1,3-diol (CID 15314348) is (2S,3R)-2,3-dimethylpentane-1,3-diol.
What is the SMILES notation for (2S,3R)-2,3-dimethylpentane-1,3-diol?
The canonical SMILES for (2S,3R)-2,3-dimethylpentane-1,3-diol is CC[C@@](C)(O)[C@@H](C)CO.
What is the InChIKey of (2S,3R)-2,3-dimethylpentane-1,3-diol?
The InChIKey is RBNLKEZJTWJUAY-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H16O2/c1-4-7(3,9)6(2)5-8/h6,8-9H,4-5H2,1-3H3/t6-,7+/m0/s1.
What are the key properties of (2S,3R)-2,3-dimethylpentane-1,3-diol?
(2S,3R)-2,3-dimethylpentane-1,3-diol has a molecular weight of 132.20 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3-dimethylpentane-1,3-diol is sourced from PubChem (CID 15314348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).