2-methylpropan-1-ol

C4H10O — CID 6560

IUPAC2-methylpropan-1-ol
SMILESCC(C)CO
InChIInChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
InChIKeyZXEKIIBDNHEJCQ-UHFFFAOYSA-N
MW74.12 g/mol
LogP0.63
Rot. Bonds1

About 2-methylpropan-1-ol

2-methylpropan-1-ol (PubChem CID 6560) has the molecular formula C4H10O and a molecular weight of 74.12 g/mol. Its IUPAC name is 2-methylpropan-1-ol.

Molecular Properties

Compound Name2-methylpropan-1-ol
PubChem CID6560
Molecular FormulaC4H10O
Molecular Weight74.12 g/mol
Exact Mass74.07
IUPAC Name2-methylpropan-1-ol
SMILESCC(C)CO
InChIInChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
InChIKeyZXEKIIBDNHEJCQ-UHFFFAOYSA-N
XLogP0.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.12
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Butanol
CID 263
1-Propanol
CID 1031
2-Methyl-1-butanol
CID 8723
Isoamyl Alcohol
CID 31260
Methylpropanediol
CID 75103
3-Methyl-2-butanol
CID 11732
Neopentyl alcohol
CID 6404
(S)-2-methyl-1-butanol
CID 2723602
Trimethylolmethane
CID 78432
2,3-Dimethylbutan-1-ol
CID 29656
2-Methyl-1-butanol, (+)-
CID 637572
(2S)-3-methylbutan-2-ol
CID 6999784

Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-1-ol?
The IUPAC name of 2-methylpropan-1-ol (CID 6560) is 2-methylpropan-1-ol.
What is the SMILES notation for 2-methylpropan-1-ol?
The canonical SMILES for 2-methylpropan-1-ol is CC(C)CO.
What is the InChIKey of 2-methylpropan-1-ol?
The InChIKey is ZXEKIIBDNHEJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3.
What are the key properties of 2-methylpropan-1-ol?
2-methylpropan-1-ol has a molecular weight of 74.12 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-1-ol is sourced from PubChem (CID 6560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).