[2-(2-Methylprop-2-enyl)oxiran-2-yl]methanol

C7H12O2 — CID 54329018

IUPAC[2-(2-methylprop-2-enyl)oxiran-2-yl]methanol
SMILESCC(=C)CC1(CO1)CO
InChIInChI=1S/C7H12O2/c1-6(2)3-7(4-8)5-9-7/h8H,1,3-5H2,2H3
InChIKeySXAIERDRXHBDAR-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.80
Rot. Bonds3

About [2-(2-Methylprop-2-enyl)oxiran-2-yl]methanol

[2-(2-Methylprop-2-enyl)oxiran-2-yl]methanol (PubChem CID 54329018) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is [2-(2-methylprop-2-enyl)oxiran-2-yl]methanol.

Molecular Properties

Compound Name[2-(2-Methylprop-2-enyl)oxiran-2-yl]methanol
PubChem CID54329018
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name[2-(2-methylprop-2-enyl)oxiran-2-yl]methanol
SMILESCC(=C)CC1(CO1)CO
InChIInChI=1S/C7H12O2/c1-6(2)3-7(4-8)5-9-7/h8H,1,3-5H2,2H3
InChIKeySXAIERDRXHBDAR-UHFFFAOYSA-N
XLogP0.80
TPSA32.80 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity131

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2-Methylprop-2-enyl)oxiran-2-yl]methanol?
The IUPAC name of [2-(2-Methylprop-2-enyl)oxiran-2-yl]methanol (CID 54329018) is [2-(2-methylprop-2-enyl)oxiran-2-yl]methanol.
What is the SMILES notation for [2-(2-Methylprop-2-enyl)oxiran-2-yl]methanol?
The canonical SMILES for [2-(2-Methylprop-2-enyl)oxiran-2-yl]methanol is CC(=C)CC1(CO1)CO.
What is the InChIKey of [2-(2-Methylprop-2-enyl)oxiran-2-yl]methanol?
The InChIKey is SXAIERDRXHBDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-6(2)3-7(4-8)5-9-7/h8H,1,3-5H2,2H3.
What are the key properties of [2-(2-Methylprop-2-enyl)oxiran-2-yl]methanol?
[2-(2-Methylprop-2-enyl)oxiran-2-yl]methanol has a molecular weight of 128.17 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-Methylprop-2-enyl)oxiran-2-yl]methanol is sourced from PubChem (CID 54329018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).