2-methylpropan-2-ol

C4H10O — CID 6386

IUPAC2-methylpropan-2-ol
SMILESCC(C)(C)O
InChIInChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
InChIKeyDKGAVHZHDRPRBM-UHFFFAOYSA-N
MW74.12 g/mol
LogP0.78
Rot. Bonds

About 2-methylpropan-2-ol

2-methylpropan-2-ol (PubChem CID 6386) has the molecular formula C4H10O and a molecular weight of 74.12 g/mol. Its IUPAC name is 2-methylpropan-2-ol.

Molecular Properties

Compound Name2-methylpropan-2-ol
PubChem CID6386
Molecular FormulaC4H10O
Molecular Weight74.12 g/mol
Exact Mass74.07
IUPAC Name2-methylpropan-2-ol
SMILESCC(C)(C)O
InChIInChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
InChIKeyDKGAVHZHDRPRBM-UHFFFAOYSA-N
XLogP0.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.12
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-2-ol?
The IUPAC name of 2-methylpropan-2-ol (CID 6386) is 2-methylpropan-2-ol.
What is the SMILES notation for 2-methylpropan-2-ol?
The canonical SMILES for 2-methylpropan-2-ol is CC(C)(C)O.
What is the InChIKey of 2-methylpropan-2-ol?
The InChIKey is DKGAVHZHDRPRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3.
What are the key properties of 2-methylpropan-2-ol?
2-methylpropan-2-ol has a molecular weight of 74.12 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-2-ol is sourced from PubChem (CID 6386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).