(2,3-dimethyloxiran-2-yl)methanol

C5H10O2 — CID 6420378

IUPAC(2,3-dimethyloxiran-2-yl)methanol
SMILESCC1OC1(C)CO
InChIInChI=1S/C5H10O2/c1-4-5(2,3-6)7-4/h4,6H,3H2,1-2H3
InChIKeyVGNAVRBYWQFGOQ-UHFFFAOYSA-N
MW102.13 g/mol
LogP0.16
Rot. Bonds1

About (2,3-dimethyloxiran-2-yl)methanol

(2,3-dimethyloxiran-2-yl)methanol (PubChem CID 6420378) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is (2,3-dimethyloxiran-2-yl)methanol.

Molecular Properties

Compound Name(2,3-dimethyloxiran-2-yl)methanol
PubChem CID6420378
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Name(2,3-dimethyloxiran-2-yl)methanol
SMILESCC1OC1(C)CO
InChIInChI=1S/C5H10O2/c1-4-5(2,3-6)7-4/h4,6H,3H2,1-2H3
InChIKeyVGNAVRBYWQFGOQ-UHFFFAOYSA-N
XLogP0.16
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 50.16
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-dimethyloxiran-2-yl)methanol?
The IUPAC name of (2,3-dimethyloxiran-2-yl)methanol (CID 6420378) is (2,3-dimethyloxiran-2-yl)methanol.
What is the SMILES notation for (2,3-dimethyloxiran-2-yl)methanol?
The canonical SMILES for (2,3-dimethyloxiran-2-yl)methanol is CC1OC1(C)CO.
What is the InChIKey of (2,3-dimethyloxiran-2-yl)methanol?
The InChIKey is VGNAVRBYWQFGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2/c1-4-5(2,3-6)7-4/h4,6H,3H2,1-2H3.
What are the key properties of (2,3-dimethyloxiran-2-yl)methanol?
(2,3-dimethyloxiran-2-yl)methanol has a molecular weight of 102.13 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyloxiran-2-yl)methanol is sourced from PubChem (CID 6420378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).