(2S,3R)-3-methylpentan-2-ol

C6H14O — CID 6993006

IUPAC(2S,3R)-3-methylpentan-2-ol
SMILESCC[C@@H](C)[C@H](C)O
InChIInChI=1S/C6H14O/c1-4-5(2)6(3)7/h5-7H,4H2,1-3H3/t5-,6+/m1/s1
InChIKeyZXNBBWHRUSXUFZ-RITPCOANSA-N
MW102.18 g/mol
LogP1.41
Rot. Bonds2

About (2S,3R)-3-methylpentan-2-ol

(2S,3R)-3-methylpentan-2-ol (PubChem CID 6993006) has the molecular formula C6H14O and a molecular weight of 102.18 g/mol. Its IUPAC name is (2S,3R)-3-methylpentan-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-methylpentan-2-ol
PubChem CID6993006
Molecular FormulaC6H14O
Molecular Weight102.18 g/mol
Exact Mass102.10
IUPAC Name(2S,3R)-3-methylpentan-2-ol
SMILESCC[C@@H](C)[C@H](C)O
InChIInChI=1S/C6H14O/c1-4-5(2)6(3)7/h5-7H,4H2,1-3H3/t5-,6+/m1/s1
InChIKeyZXNBBWHRUSXUFZ-RITPCOANSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.18
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methylpentan-2-ol;3-methylpentan-3-ol
CID 158561904
(2S,3S)-2-[(2S)-butan-2-yl]butane-1,3-diol
CID 89307443
(2R)-3-methylhexan-2-ol
CID 88692749
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
1H-imidazole;3-methylpentan-2-ol;hydrochloride
CID 173066373
2-ethyl-3-methylpentane-1,1-diol
CID 151142103
3-(2-hydroxypentan-3-yloxy)pentan-2-ol
CID 138539314
5-methylheptane-3,4-diol
CID 21486220
(1R)-1-methoxy-2-methylbutan-1-ol
CID 88580756
2-methylbutane;3-methylbutan-2-ol
CID 87553210
3,4-dimethylhexane;ethane;2-methylbutane;3-methylbutan-2-ol;3-methylpentane
CID 158848934
(2S,3R,4S)-2,4-dimethylhexane-1,3-diol
CID 10931577

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-methylpentan-2-ol?
The IUPAC name of (2S,3R)-3-methylpentan-2-ol (CID 6993006) is (2S,3R)-3-methylpentan-2-ol.
What is the SMILES notation for (2S,3R)-3-methylpentan-2-ol?
The canonical SMILES for (2S,3R)-3-methylpentan-2-ol is CC[C@@H](C)[C@H](C)O.
What is the InChIKey of (2S,3R)-3-methylpentan-2-ol?
The InChIKey is ZXNBBWHRUSXUFZ-RITPCOANSA-N. The full InChI is InChI=1S/C6H14O/c1-4-5(2)6(3)7/h5-7H,4H2,1-3H3/t5-,6+/m1/s1.
What are the key properties of (2S,3R)-3-methylpentan-2-ol?
(2S,3R)-3-methylpentan-2-ol has a molecular weight of 102.18 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-methylpentan-2-ol is sourced from PubChem (CID 6993006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).