2-methyl-1-(3-propan-2-yloxiran-2-yl)propan-1-one

C9H16O2 — CID 101171761

IUPAC2-methyl-1-(3-propan-2-yloxiran-2-yl)propan-1-one
SMILESCC(C)C(=O)C1OC1C(C)C
InChIInChI=1S/C9H16O2/c1-5(2)7(10)9-8(11-9)6(3)4/h5-6,8-9H,1-4H3
InChIKeyFQTRBJZZNICZJX-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.63
Rot. Bonds3

About 2-methyl-1-(3-propan-2-yloxiran-2-yl)propan-1-one

2-methyl-1-(3-propan-2-yloxiran-2-yl)propan-1-one (PubChem CID 101171761) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-methyl-1-(3-propan-2-yloxiran-2-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(3-propan-2-yloxiran-2-yl)propan-1-one
PubChem CID101171761
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-methyl-1-(3-propan-2-yloxiran-2-yl)propan-1-one
SMILESCC(C)C(=O)C1OC1C(C)C
InChIInChI=1S/C9H16O2/c1-5(2)7(10)9-8(11-9)6(3)4/h5-6,8-9H,1-4H3
InChIKeyFQTRBJZZNICZJX-UHFFFAOYSA-N
XLogP1.63
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.63
H-Bond Donors ≤ 50
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-methyl-1-(3-propan-2-yloxiran-2-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(3-propan-2-yloxiran-2-yl)propan-1-one (CID 101171761) is 2-methyl-1-(3-propan-2-yloxiran-2-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(3-propan-2-yloxiran-2-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(3-propan-2-yloxiran-2-yl)propan-1-one is CC(C)C(=O)C1OC1C(C)C.
What is the InChIKey of 2-methyl-1-(3-propan-2-yloxiran-2-yl)propan-1-one?
The InChIKey is FQTRBJZZNICZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-5(2)7(10)9-8(11-9)6(3)4/h5-6,8-9H,1-4H3.
What are the key properties of 2-methyl-1-(3-propan-2-yloxiran-2-yl)propan-1-one?
2-methyl-1-(3-propan-2-yloxiran-2-yl)propan-1-one has a molecular weight of 156.22 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-propan-2-yloxiran-2-yl)propan-1-one is sourced from PubChem (CID 101171761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).