2,2-dimethylbutan-1-ol

C6H14O — CID 14454

IUPAC2,2-dimethylbutan-1-ol
SMILESCCC(C)(C)CO
InChIInChI=1S/C6H14O/c1-4-6(2,3)5-7/h7H,4-5H2,1-3H3
InChIKeyXRMVWAKMXZNZIL-UHFFFAOYSA-N
MW102.18 g/mol
LogP1.41
Rot. Bonds2

About 2,2-dimethylbutan-1-ol

2,2-dimethylbutan-1-ol (PubChem CID 14454) has the molecular formula C6H14O and a molecular weight of 102.18 g/mol. Its IUPAC name is 2,2-dimethylbutan-1-ol.

Molecular Properties

Compound Name2,2-dimethylbutan-1-ol
PubChem CID14454
Molecular FormulaC6H14O
Molecular Weight102.18 g/mol
Exact Mass102.10
IUPAC Name2,2-dimethylbutan-1-ol
SMILESCCC(C)(C)CO
InChIInChI=1S/C6H14O/c1-4-6(2,3)5-7/h7H,4-5H2,1-3H3
InChIKeyXRMVWAKMXZNZIL-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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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutan-1-ol?
The IUPAC name of 2,2-dimethylbutan-1-ol (CID 14454) is 2,2-dimethylbutan-1-ol.
What is the SMILES notation for 2,2-dimethylbutan-1-ol?
The canonical SMILES for 2,2-dimethylbutan-1-ol is CCC(C)(C)CO.
What is the InChIKey of 2,2-dimethylbutan-1-ol?
The InChIKey is XRMVWAKMXZNZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O/c1-4-6(2,3)5-7/h7H,4-5H2,1-3H3.
What are the key properties of 2,2-dimethylbutan-1-ol?
2,2-dimethylbutan-1-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 2,2-dimethylbutan-1-ol is sourced from PubChem (CID 14454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).