2,3-dimethylpentane-2,4-diol

C7H16O2 — CID 12896299

IUPAC2,3-dimethylpentane-2,4-diol
SMILESCC(O)C(C)C(C)(C)O
InChIInChI=1S/C7H16O2/c1-5(6(2)8)7(3,4)9/h5-6,8-9H,1-4H3
InChIKeyOQGDYHLGWMRXBL-UHFFFAOYSA-N
MW132.20 g/mol
LogP0.77
Rot. Bonds2

About 2,3-dimethylpentane-2,4-diol

2,3-dimethylpentane-2,4-diol (PubChem CID 12896299) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 2,3-dimethylpentane-2,4-diol.

Molecular Properties

Compound Name2,3-dimethylpentane-2,4-diol
PubChem CID12896299
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name2,3-dimethylpentane-2,4-diol
SMILESCC(O)C(C)C(C)(C)O
InChIInChI=1S/C7H16O2/c1-5(6(2)8)7(3,4)9/h5-6,8-9H,1-4H3
InChIKeyOQGDYHLGWMRXBL-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-hydroxyethyl)-2,4-dimethylpentane-2,4-diol
CID 87799633
(2R,3S)-3,4,4-trimethylpentan-2-ol
CID 58403064
5-amino-3,4,4-trimethylpentan-2-ol
CID 130514641
2,3-dimethyl(213C)butan-2-ol
CID 100985919
2-methylpropane-1,1,2-triol
CID 22500679
3,4-dimethylhex-5-yne-2,4-diol
CID 130124849
2-methylbutan-2-ol;3-methylbutan-2-ol
CID 87324664
3-tert-butyl-4,4-dimethylpentan-2-ol
CID 59805518
(3S)-3-[(1S)-1-hydroxyethyl]-4-methylpentane-1,4-diol
CID 11805076
5,6-dimethylheptane-1,3,4,6-tetrol
CID 91147013
2,3,4,6,6-pentamethylheptan-2-ol
CID 152553280
methanol;2-methylpropan-2-ol;bis(propan-2-ol)
CID 173031794

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpentane-2,4-diol?
The IUPAC name of 2,3-dimethylpentane-2,4-diol (CID 12896299) is 2,3-dimethylpentane-2,4-diol.
What is the SMILES notation for 2,3-dimethylpentane-2,4-diol?
The canonical SMILES for 2,3-dimethylpentane-2,4-diol is CC(O)C(C)C(C)(C)O.
What is the InChIKey of 2,3-dimethylpentane-2,4-diol?
The InChIKey is OQGDYHLGWMRXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2/c1-5(6(2)8)7(3,4)9/h5-6,8-9H,1-4H3.
What are the key properties of 2,3-dimethylpentane-2,4-diol?
2,3-dimethylpentane-2,4-diol has a molecular weight of 132.20 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpentane-2,4-diol is sourced from PubChem (CID 12896299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).