2-methyloxirane;propane

C6H14O — CID 88526326

IUPAC2-methyloxirane;propane
SMILESCC1CO1.CCC
InChIInChI=1S/C3H6O.C3H8/c1-3-2-4-3;1-3-2/h3H,2H2,1H3;3H2,1-2H3
InChIKeyWSULUIILRBXVFA-UHFFFAOYSA-N
MW102.18 g/mol
LogP1.82
Rot. Bonds

About 2-methyloxirane;propane

2-methyloxirane;propane (PubChem CID 88526326) has the molecular formula C6H14O and a molecular weight of 102.18 g/mol. Its IUPAC name is 2-methyloxirane;propane.

Molecular Properties

Compound Name2-methyloxirane;propane
PubChem CID88526326
Molecular FormulaC6H14O
Molecular Weight102.18 g/mol
Exact Mass102.10
IUPAC Name2-methyloxirane;propane
SMILESCC1CO1.CCC
InChIInChI=1S/C3H6O.C3H8/c1-3-2-4-3;1-3-2/h3H,2H2,1H3;3H2,1-2H3
InChIKeyWSULUIILRBXVFA-UHFFFAOYSA-N
XLogP1.82
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.18
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methyloxirane;propane?
The IUPAC name of 2-methyloxirane;propane (CID 88526326) is 2-methyloxirane;propane.
What is the SMILES notation for 2-methyloxirane;propane?
The canonical SMILES for 2-methyloxirane;propane is CC1CO1.CCC.
What is the InChIKey of 2-methyloxirane;propane?
The InChIKey is WSULUIILRBXVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C3H8/c1-3-2-4-3;1-3-2/h3H,2H2,1H3;3H2,1-2H3.
What are the key properties of 2-methyloxirane;propane?
2-methyloxirane;propane has a molecular weight of 102.18 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxirane;propane is sourced from PubChem (CID 88526326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).