2-(3,3-dimethyloxiran-2-yl)propan-2-ol

C7H14O2 — CID 139369410

IUPAC2-(3,3-dimethyloxiran-2-yl)propan-2-ol
SMILESCC(C)(O)C1OC1(C)C
InChIInChI=1S/C7H14O2/c1-6(2,8)5-7(3,4)9-5/h5,8H,1-4H3
InChIKeyWGCFOFRTAREJNT-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.93
Rot. Bonds1

About 2-(3,3-dimethyloxiran-2-yl)propan-2-ol

2-(3,3-dimethyloxiran-2-yl)propan-2-ol (PubChem CID 139369410) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-(3,3-dimethyloxiran-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(3,3-dimethyloxiran-2-yl)propan-2-ol
PubChem CID139369410
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-(3,3-dimethyloxiran-2-yl)propan-2-ol
SMILESCC(C)(O)C1OC1(C)C
InChIInChI=1S/C7H14O2/c1-6(2,8)5-7(3,4)9-5/h5,8H,1-4H3
InChIKeyWGCFOFRTAREJNT-UHFFFAOYSA-N
XLogP0.93
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.93
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-(3,3-dimethyloxiran-2-yl)propan-2-ol?
The IUPAC name of 2-(3,3-dimethyloxiran-2-yl)propan-2-ol (CID 139369410) is 2-(3,3-dimethyloxiran-2-yl)propan-2-ol.
What is the SMILES notation for 2-(3,3-dimethyloxiran-2-yl)propan-2-ol?
The canonical SMILES for 2-(3,3-dimethyloxiran-2-yl)propan-2-ol is CC(C)(O)C1OC1(C)C.
What is the InChIKey of 2-(3,3-dimethyloxiran-2-yl)propan-2-ol?
The InChIKey is WGCFOFRTAREJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-6(2,8)5-7(3,4)9-5/h5,8H,1-4H3.
What are the key properties of 2-(3,3-dimethyloxiran-2-yl)propan-2-ol?
2-(3,3-dimethyloxiran-2-yl)propan-2-ol has a molecular weight of 130.19 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyloxiran-2-yl)propan-2-ol is sourced from PubChem (CID 139369410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).