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

C7H16O2 — CID 118219388

IUPAC(3R)-2,3-dimethylpentane-2,3-diol
SMILESCC[C@@](C)(O)C(C)(C)O
InChIInChI=1S/C7H16O2/c1-5-7(4,9)6(2,3)8/h8-9H,5H2,1-4H3/t7-/m1/s1
InChIKeyHNIDTKCNPXBSLD-SSDOTTSWSA-N
MW132.20 g/mol
LogP0.92
Rot. Bonds2

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

(3R)-2,3-dimethylpentane-2,3-diol (PubChem CID 118219388) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is (3R)-2,3-dimethylpentane-2,3-diol.

Molecular Properties

Compound Name(3R)-2,3-dimethylpentane-2,3-diol
PubChem CID118219388
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name(3R)-2,3-dimethylpentane-2,3-diol
SMILESCC[C@@](C)(O)C(C)(C)O
InChIInChI=1S/C7H16O2/c1-5-7(4,9)6(2,3)8/h8-9H,5H2,1-4H3/t7-/m1/s1
InChIKeyHNIDTKCNPXBSLD-SSDOTTSWSA-N
XLogP0.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dimethyl-2-pentanol
CID 21019
3,4-Hexanediol, 3,4-diethyl-
CID 23358
3,4-Dimethyl-3,4-hexanediol
CID 223377
2,3-Dimethyl-hexane-2,3-diol
CID 21291185
2,3-Dimethylbutane-2,3-diol hydrate
CID 20484872
2,3,4-Trimethylpentane-2,3-diol
CID 23384765
Isopropylpinacol
CID 67159816
Rel-(3R,4S)-3,4-dimethylhexane-3,4-diol
CID 12576384
(3R,4R)-3,4-dimethylhexane-3,4-diol
CID 12576385
2,3,4-Trimethylpentane-2,3,4-triol
CID 15083800
2,3-Dimethyl-2,3-pentanediol
CID 22323943
2,3,7-Trimethyl-5-octyne-2,3,7-triol
CID 12381258

Frequently Asked Questions

What is the IUPAC name of (3R)-2,3-dimethylpentane-2,3-diol?
The IUPAC name of (3R)-2,3-dimethylpentane-2,3-diol (CID 118219388) is (3R)-2,3-dimethylpentane-2,3-diol.
What is the SMILES notation for (3R)-2,3-dimethylpentane-2,3-diol?
The canonical SMILES for (3R)-2,3-dimethylpentane-2,3-diol is CC[C@@](C)(O)C(C)(C)O.
What is the InChIKey of (3R)-2,3-dimethylpentane-2,3-diol?
The InChIKey is HNIDTKCNPXBSLD-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H16O2/c1-5-7(4,9)6(2,3)8/h8-9H,5H2,1-4H3/t7-/m1/s1.
What are the key properties of (3R)-2,3-dimethylpentane-2,3-diol?
(3R)-2,3-dimethylpentane-2,3-diol has a molecular weight of 132.20 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,3-dimethylpentane-2,3-diol is sourced from PubChem (CID 118219388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).