2-methylbutan-2-ol

C5H12O — CID 6405

IUPAC2-methylbutan-2-ol
SMILESCCC(C)(C)O
InChIInChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3
InChIKeyMSXVEPNJUHWQHW-UHFFFAOYSA-N
MW88.15 g/mol
LogP1.17
Rot. Bonds1

About 2-methylbutan-2-ol

2-methylbutan-2-ol (PubChem CID 6405) has the molecular formula C5H12O and a molecular weight of 88.15 g/mol. Its IUPAC name is 2-methylbutan-2-ol.

Molecular Properties

Compound Name2-methylbutan-2-ol
PubChem CID6405
Molecular FormulaC5H12O
Molecular Weight88.15 g/mol
Exact Mass88.09
IUPAC Name2-methylbutan-2-ol
SMILESCCC(C)(C)O
InChIInChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3
InChIKeyMSXVEPNJUHWQHW-UHFFFAOYSA-N
XLogP1.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.15
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-ol?
The IUPAC name of 2-methylbutan-2-ol (CID 6405) is 2-methylbutan-2-ol.
What is the SMILES notation for 2-methylbutan-2-ol?
The canonical SMILES for 2-methylbutan-2-ol is CCC(C)(C)O.
What is the InChIKey of 2-methylbutan-2-ol?
The InChIKey is MSXVEPNJUHWQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3.
What are the key properties of 2-methylbutan-2-ol?
2-methylbutan-2-ol has a molecular weight of 88.15 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-ol is sourced from PubChem (CID 6405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).