3-methylpentan-2-ol

C6H14O — CID 11261

IUPAC3-methylpentan-2-ol
SMILESCCC(C)C(C)O
InChIInChI=1S/C6H14O/c1-4-5(2)6(3)7/h5-7H,4H2,1-3H3
InChIKeyZXNBBWHRUSXUFZ-UHFFFAOYSA-N
MW102.18 g/mol
LogP1.41
Rot. Bonds2

About 3-methylpentan-2-ol

3-methylpentan-2-ol (PubChem CID 11261) has the molecular formula C6H14O and a molecular weight of 102.18 g/mol. Its IUPAC name is 3-methylpentan-2-ol.

Molecular Properties

Compound Name3-methylpentan-2-ol
PubChem CID11261
Molecular FormulaC6H14O
Molecular Weight102.18 g/mol
Exact Mass102.10
IUPAC Name3-methylpentan-2-ol
SMILESCCC(C)C(C)O
InChIInChI=1S/C6H14O/c1-4-5(2)6(3)7/h5-7H,4H2,1-3H3
InChIKeyZXNBBWHRUSXUFZ-UHFFFAOYSA-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

4-Methyl-2-Pentanol
CID 7910
2-Ethyl-1-butanol
CID 7358
3-Methyl-2-butanol
CID 11732
3-Methyl-1-pentanol
CID 11508
2,4-Dimethyl-3-pentanol
CID 11752
2-Methyl-3-hexanol
CID 12040
2-Methylpentan-3-ol
CID 11264
2-Pentanol, 3-ethyl-
CID 79069
1,3-Butanediol, 2-methyl-
CID 12698
3-(Hydroxymethyl)pentane-2,4-diol
CID 61234
2-Ethyl-1,3-butanediol
CID 47955
4-Methylhexan-3-ol
CID 11991

Frequently Asked Questions

What is the IUPAC name of 3-methylpentan-2-ol?
The IUPAC name of 3-methylpentan-2-ol (CID 11261) is 3-methylpentan-2-ol.
What is the SMILES notation for 3-methylpentan-2-ol?
The canonical SMILES for 3-methylpentan-2-ol is CCC(C)C(C)O.
What is the InChIKey of 3-methylpentan-2-ol?
The InChIKey is ZXNBBWHRUSXUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O/c1-4-5(2)6(3)7/h5-7H,4H2,1-3H3.
What are the key properties of 3-methylpentan-2-ol?
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 3-methylpentan-2-ol is sourced from PubChem (CID 11261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).