2,2-dimethylpropan-1-ol

C5H12O — CID 6404

IUPAC2,2-dimethylpropan-1-ol
SMILESCC(C)(C)CO
InChIInChI=1S/C5H12O/c1-5(2,3)4-6/h6H,4H2,1-3H3
InChIKeyKPSSIOMAKSHJJG-UHFFFAOYSA-N
MW88.15 g/mol
LogP1.02
Rot. Bonds

About 2,2-dimethylpropan-1-ol

2,2-dimethylpropan-1-ol (PubChem CID 6404) has the molecular formula C5H12O and a molecular weight of 88.15 g/mol. Its IUPAC name is 2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name2,2-dimethylpropan-1-ol
PubChem CID6404
Molecular FormulaC5H12O
Molecular Weight88.15 g/mol
Exact Mass88.09
IUPAC Name2,2-dimethylpropan-1-ol
SMILESCC(C)(C)CO
InChIInChI=1S/C5H12O/c1-5(2,3)4-6/h6H,4H2,1-3H3
InChIKeyKPSSIOMAKSHJJG-UHFFFAOYSA-N
XLogP1.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.15
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropan-1-ol?
The IUPAC name of 2,2-dimethylpropan-1-ol (CID 6404) is 2,2-dimethylpropan-1-ol.
What is the SMILES notation for 2,2-dimethylpropan-1-ol?
The canonical SMILES for 2,2-dimethylpropan-1-ol is CC(C)(C)CO.
What is the InChIKey of 2,2-dimethylpropan-1-ol?
The InChIKey is KPSSIOMAKSHJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O/c1-5(2,3)4-6/h6H,4H2,1-3H3.
What are the key properties of 2,2-dimethylpropan-1-ol?
2,2-dimethylpropan-1-ol has a molecular weight of 88.15 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropan-1-ol is sourced from PubChem (CID 6404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).