3,3-dimethylbutan-1-ol

C6H14O — CID 12233

IUPAC3,3-dimethylbutan-1-ol
SMILESCC(C)(C)CCO
InChIInChI=1S/C6H14O/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3
InChIKeyDUXCSEISVMREAX-UHFFFAOYSA-N
MW102.18 g/mol
LogP1.41
Rot. Bonds1

About 3,3-dimethylbutan-1-ol

3,3-dimethylbutan-1-ol (PubChem CID 12233) has the molecular formula C6H14O and a molecular weight of 102.18 g/mol. Its IUPAC name is 3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name3,3-dimethylbutan-1-ol
PubChem CID12233
Molecular FormulaC6H14O
Molecular Weight102.18 g/mol
Exact Mass102.10
IUPAC Name3,3-dimethylbutan-1-ol
SMILESCC(C)(C)CCO
InChIInChI=1S/C6H14O/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3
InChIKeyDUXCSEISVMREAX-UHFFFAOYSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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

2-Methyl-1-butanol
CID 8723
Isoamyl Alcohol
CID 31260
Trimethylolpropane
CID 6510
3,3-Dimethyl-2-butanol
CID 10045
Neopentyl alcohol
CID 6404
2,2-Dimethylbutanol
CID 14454
(S)-2-methyl-1-butanol
CID 2723602
Neoheptanol
CID 16911
2,2-Dimethyl-1,3-butanediol
CID 6440
4,4-Dimethyl-1-pentanol
CID 18393
2-Methyl-1-butanol, (+)-
CID 637572
2,2-Dimethylbutane-1,4-diol
CID 10887879

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutan-1-ol?
The IUPAC name of 3,3-dimethylbutan-1-ol (CID 12233) is 3,3-dimethylbutan-1-ol.
What is the SMILES notation for 3,3-dimethylbutan-1-ol?
The canonical SMILES for 3,3-dimethylbutan-1-ol is CC(C)(C)CCO.
What is the InChIKey of 3,3-dimethylbutan-1-ol?
The InChIKey is DUXCSEISVMREAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3.
What are the key properties of 3,3-dimethylbutan-1-ol?
3,3-dimethylbutan-1-ol has a molecular weight of 102.18 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutan-1-ol is sourced from PubChem (CID 12233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).