(2R,3R)-4,4-dimethylpentane-2,3-diol

C7H16O2 — CID 13427557

IUPAC(2R,3R)-4,4-dimethylpentane-2,3-diol
SMILESC[C@@H](O)[C@H](O)C(C)(C)C
InChIInChI=1S/C7H16O2/c1-5(8)6(9)7(2,3)4/h5-6,8-9H,1-4H3/t5-,6+/m1/s1
InChIKeyFKPLZJCSXGKJNK-RITPCOANSA-N
MW132.20 g/mol
LogP0.77
Rot. Bonds1

About (2R,3R)-4,4-dimethylpentane-2,3-diol

(2R,3R)-4,4-dimethylpentane-2,3-diol (PubChem CID 13427557) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is (2R,3R)-4,4-dimethylpentane-2,3-diol.

Molecular Properties

Compound Name(2R,3R)-4,4-dimethylpentane-2,3-diol
PubChem CID13427557
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name(2R,3R)-4,4-dimethylpentane-2,3-diol
SMILESC[C@@H](O)[C@H](O)C(C)(C)C
InChIInChI=1S/C7H16O2/c1-5(8)6(9)7(2,3)4/h5-6,8-9H,1-4H3/t5-,6+/m1/s1
InChIKeyFKPLZJCSXGKJNK-RITPCOANSA-N
XLogP0.77
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4,4-dimethylpentane-2,3-diol?
The IUPAC name of (2R,3R)-4,4-dimethylpentane-2,3-diol (CID 13427557) is (2R,3R)-4,4-dimethylpentane-2,3-diol.
What is the SMILES notation for (2R,3R)-4,4-dimethylpentane-2,3-diol?
The canonical SMILES for (2R,3R)-4,4-dimethylpentane-2,3-diol is C[C@@H](O)[C@H](O)C(C)(C)C.
What is the InChIKey of (2R,3R)-4,4-dimethylpentane-2,3-diol?
The InChIKey is FKPLZJCSXGKJNK-RITPCOANSA-N. The full InChI is InChI=1S/C7H16O2/c1-5(8)6(9)7(2,3)4/h5-6,8-9H,1-4H3/t5-,6+/m1/s1.
What are the key properties of (2R,3R)-4,4-dimethylpentane-2,3-diol?
(2R,3R)-4,4-dimethylpentane-2,3-diol has a molecular weight of 132.20 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4,4-dimethylpentane-2,3-diol is sourced from PubChem (CID 13427557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).