2-methyl-2-(oxiran-2-yl)propan-1-ol

C6H12O2 — CID 59876594

IUPAC2-methyl-2-(oxiran-2-yl)propan-1-ol
SMILESCC(C)(CO)C1CO1
InChIInChI=1S/C6H12O2/c1-6(2,4-7)5-3-8-5/h5,7H,3-4H2,1-2H3
InChIKeyFMSOMPFGGXYNKV-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.40
Rot. Bonds2

About 2-methyl-2-(oxiran-2-yl)propan-1-ol

2-methyl-2-(oxiran-2-yl)propan-1-ol (PubChem CID 59876594) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-methyl-2-(oxiran-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(oxiran-2-yl)propan-1-ol
PubChem CID59876594
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name2-methyl-2-(oxiran-2-yl)propan-1-ol
SMILESCC(C)(CO)C1CO1
InChIInChI=1S/C6H12O2/c1-6(2,4-7)5-3-8-5/h5,7H,3-4H2,1-2H3
InChIKeyFMSOMPFGGXYNKV-UHFFFAOYSA-N
XLogP0.40
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(oxiran-2-yl)propan-1-ol?
The IUPAC name of 2-methyl-2-(oxiran-2-yl)propan-1-ol (CID 59876594) is 2-methyl-2-(oxiran-2-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-2-(oxiran-2-yl)propan-1-ol?
The canonical SMILES for 2-methyl-2-(oxiran-2-yl)propan-1-ol is CC(C)(CO)C1CO1.
What is the InChIKey of 2-methyl-2-(oxiran-2-yl)propan-1-ol?
The InChIKey is FMSOMPFGGXYNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-6(2,4-7)5-3-8-5/h5,7H,3-4H2,1-2H3.
What are the key properties of 2-methyl-2-(oxiran-2-yl)propan-1-ol?
2-methyl-2-(oxiran-2-yl)propan-1-ol has a molecular weight of 116.16 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxiran-2-yl)propan-1-ol is sourced from PubChem (CID 59876594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).