2,3-dimethylbutan-1-ol

C6H14O — CID 29656

IUPAC2,3-dimethylbutan-1-ol
SMILESCC(C)C(C)CO
InChIInChI=1S/C6H14O/c1-5(2)6(3)4-7/h5-7H,4H2,1-3H3
InChIKeySXSWMAUXEHKFGX-UHFFFAOYSA-N
MW102.18 g/mol
LogP1.27
Rot. Bonds2

About 2,3-dimethylbutan-1-ol

2,3-dimethylbutan-1-ol (PubChem CID 29656) has the molecular formula C6H14O and a molecular weight of 102.18 g/mol. Its IUPAC name is 2,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name2,3-dimethylbutan-1-ol
PubChem CID29656
Molecular FormulaC6H14O
Molecular Weight102.18 g/mol
Exact Mass102.10
IUPAC Name2,3-dimethylbutan-1-ol
SMILESCC(C)C(C)CO
InChIInChI=1S/C6H14O/c1-5(2)6(3)4-7/h5-7H,4H2,1-3H3
InChIKeySXSWMAUXEHKFGX-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-1-ol?
The IUPAC name of 2,3-dimethylbutan-1-ol (CID 29656) is 2,3-dimethylbutan-1-ol.
What is the SMILES notation for 2,3-dimethylbutan-1-ol?
The canonical SMILES for 2,3-dimethylbutan-1-ol is CC(C)C(C)CO.
What is the InChIKey of 2,3-dimethylbutan-1-ol?
The InChIKey is SXSWMAUXEHKFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O/c1-5(2)6(3)4-7/h5-7H,4H2,1-3H3.
What are the key properties of 2,3-dimethylbutan-1-ol?
2,3-dimethylbutan-1-ol has a molecular weight of 102.18 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-1-ol is sourced from PubChem (CID 29656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).