2-methylpropan-1-ol;oxiran-2-ylmethanol

C7H16O3 — CID 174774669

IUPAC2-methylpropan-1-ol;oxiran-2-ylmethanol
SMILESCC(C)CO.OCC1CO1
InChIInChI=1S/C4H10O.C3H6O2/c1-4(2)3-5;4-1-3-2-5-3/h4-5H,3H2,1-2H3;3-4H,1-2H2
InChIKeyRKURKCTUUUHRKL-UHFFFAOYSA-N
MW148.20 g/mol
LogP0.01
Rot. Bonds2

About 2-methylpropan-1-ol;oxiran-2-ylmethanol

2-methylpropan-1-ol;oxiran-2-ylmethanol (PubChem CID 174774669) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is 2-methylpropan-1-ol;oxiran-2-ylmethanol.

Molecular Properties

Compound Name2-methylpropan-1-ol;oxiran-2-ylmethanol
PubChem CID174774669
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name2-methylpropan-1-ol;oxiran-2-ylmethanol
SMILESCC(C)CO.OCC1CO1
InChIInChI=1S/C4H10O.C3H6O2/c1-4(2)3-5;4-1-3-2-5-3/h4-5H,3H2,1-2H3;3-4H,1-2H2
InChIKeyRKURKCTUUUHRKL-UHFFFAOYSA-N
XLogP0.01
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methylpropan-1-ol;oxiran-2-ylmethanol?
The IUPAC name of 2-methylpropan-1-ol;oxiran-2-ylmethanol (CID 174774669) is 2-methylpropan-1-ol;oxiran-2-ylmethanol.
What is the SMILES notation for 2-methylpropan-1-ol;oxiran-2-ylmethanol?
The canonical SMILES for 2-methylpropan-1-ol;oxiran-2-ylmethanol is CC(C)CO.OCC1CO1.
What is the InChIKey of 2-methylpropan-1-ol;oxiran-2-ylmethanol?
The InChIKey is RKURKCTUUUHRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C3H6O2/c1-4(2)3-5;4-1-3-2-5-3/h4-5H,3H2,1-2H3;3-4H,1-2H2.
What are the key properties of 2-methylpropan-1-ol;oxiran-2-ylmethanol?
2-methylpropan-1-ol;oxiran-2-ylmethanol has a molecular weight of 148.20 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-1-ol;oxiran-2-ylmethanol is sourced from PubChem (CID 174774669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).