2-methyloxirane;oxirane;propan-2-ol

C8H18O3 — CID 22467713

IUPAC2-methyloxirane;oxirane;propan-2-ol
SMILESC1CO1.CC(C)O.CC1CO1
InChIInChI=1S/C3H6O.C3H8O.C2H4O/c1-3-2-4-3;1-3(2)4;1-2-3-1/h3H,2H2,1H3;3-4H,1-2H3;1-2H2
InChIKeyJGZFGNHDJFGMIV-UHFFFAOYSA-N
MW162.23 g/mol
LogP0.81
Rot. Bonds

About 2-methyloxirane;oxirane;propan-2-ol

2-methyloxirane;oxirane;propan-2-ol (PubChem CID 22467713) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 2-methyloxirane;oxirane;propan-2-ol.

Molecular Properties

Compound Name2-methyloxirane;oxirane;propan-2-ol
PubChem CID22467713
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name2-methyloxirane;oxirane;propan-2-ol
SMILESC1CO1.CC(C)O.CC1CO1
InChIInChI=1S/C3H6O.C3H8O.C2H4O/c1-3-2-4-3;1-3(2)4;1-2-3-1/h3H,2H2,1H3;3-4H,1-2H3;1-2H2
InChIKeyJGZFGNHDJFGMIV-UHFFFAOYSA-N
XLogP0.81
TPSA45.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.81
H-Bond Donors ≤ 51
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-methyloxirane;oxirane;propan-2-ol?
The IUPAC name of 2-methyloxirane;oxirane;propan-2-ol (CID 22467713) is 2-methyloxirane;oxirane;propan-2-ol.
What is the SMILES notation for 2-methyloxirane;oxirane;propan-2-ol?
The canonical SMILES for 2-methyloxirane;oxirane;propan-2-ol is C1CO1.CC(C)O.CC1CO1.
What is the InChIKey of 2-methyloxirane;oxirane;propan-2-ol?
The InChIKey is JGZFGNHDJFGMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C3H8O.C2H4O/c1-3-2-4-3;1-3(2)4;1-2-3-1/h3H,2H2,1H3;3-4H,1-2H3;1-2H2.
What are the key properties of 2-methyloxirane;oxirane;propan-2-ol?
2-methyloxirane;oxirane;propan-2-ol has a molecular weight of 162.23 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxirane;oxirane;propan-2-ol is sourced from PubChem (CID 22467713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).