3,3-dimethylbutan-2-ol

C6H14O — CID 10045

IUPAC3,3-dimethylbutan-2-ol
SMILESCC(O)C(C)(C)C
InChIInChI=1S/C6H14O/c1-5(7)6(2,3)4/h5,7H,1-4H3
InChIKeyDFOXKPDFWGNLJU-UHFFFAOYSA-N
MW102.18 g/mol
LogP1.41
Rot. Bonds

About 3,3-dimethylbutan-2-ol

3,3-dimethylbutan-2-ol (PubChem CID 10045) has the molecular formula C6H14O and a molecular weight of 102.18 g/mol. Its IUPAC name is 3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3,3-dimethylbutan-2-ol
PubChem CID10045
Molecular FormulaC6H14O
Molecular Weight102.18 g/mol
Exact Mass102.10
IUPAC Name3,3-dimethylbutan-2-ol
SMILESCC(O)C(C)(C)C
InChIInChI=1S/C6H14O/c1-5(7)6(2,3)4/h5,7H,1-4H3
InChIKeyDFOXKPDFWGNLJU-UHFFFAOYSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
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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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutan-2-ol?
The IUPAC name of 3,3-dimethylbutan-2-ol (CID 10045) is 3,3-dimethylbutan-2-ol.
What is the SMILES notation for 3,3-dimethylbutan-2-ol?
The canonical SMILES for 3,3-dimethylbutan-2-ol is CC(O)C(C)(C)C.
What is the InChIKey of 3,3-dimethylbutan-2-ol?
The InChIKey is DFOXKPDFWGNLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O/c1-5(7)6(2,3)4/h5,7H,1-4H3.
What are the key properties of 3,3-dimethylbutan-2-ol?
3,3-dimethylbutan-2-ol has a molecular weight of 102.18 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutan-2-ol is sourced from PubChem (CID 10045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).