2-methyl-1-(3-methyl-3-prop-2-enyloxiran-2-yl)propan-1-one

C10H16O2 — CID 10678695

IUPAC2-methyl-1-(3-methyl-3-prop-2-enyloxiran-2-yl)propan-1-one
SMILESC=CCC1(C)OC1C(=O)C(C)C
InChIInChI=1S/C10H16O2/c1-5-6-10(4)9(12-10)8(11)7(2)3/h5,7,9H,1,6H2,2-4H3
InChIKeyYUXXAOPBZPOYEL-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.95
Rot. Bonds4

About 2-methyl-1-(3-methyl-3-prop-2-enyloxiran-2-yl)propan-1-one

2-methyl-1-(3-methyl-3-prop-2-enyloxiran-2-yl)propan-1-one (PubChem CID 10678695) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methyl-1-(3-methyl-3-prop-2-enyloxiran-2-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(3-methyl-3-prop-2-enyloxiran-2-yl)propan-1-one
PubChem CID10678695
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-methyl-1-(3-methyl-3-prop-2-enyloxiran-2-yl)propan-1-one
SMILESC=CCC1(C)OC1C(=O)C(C)C
InChIInChI=1S/C10H16O2/c1-5-6-10(4)9(12-10)8(11)7(2)3/h5,7,9H,1,6H2,2-4H3
InChIKeyYUXXAOPBZPOYEL-UHFFFAOYSA-N
XLogP1.95
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Ethanone, 1-[3-methyl-3-(4-methyl-3-pentenyl)oxiranyl]-
CID 536459
(2S,5R)-5-propan-2-yl-2-prop-2-enyloxolan-3-one
CID 10931826
Epoxytagetone
CID 91748342
1-[(2R,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethanone
CID 639017
1-(3-But-3-enyl-3-methyloxiran-2-yl)ethanone
CID 10487078
1-(3-Methyl-3-prop-2-enyloxiran-2-yl)propan-1-one
CID 10487079
1-(3-Methyl-3-prop-2-enyloxiran-2-yl)ethanone
CID 10510940
2,2-Dimethyl-1-(3-methyl-3-prop-2-enyloxiran-2-yl)propan-1-one
CID 10535440
1-(3-Ethyl-3-pent-4-en-2-yloxiran-2-yl)ethanone
CID 10631290
1-(3-But-3-enyl-3-propan-2-yloxiran-2-yl)ethanone
CID 10749955
1-(3-But-3-enyl-3-methyloxiran-2-yl)propan-1-one
CID 10773421
1-(3-But-3-enyl-3-methyloxiran-2-yl)-2,2-dimethylpropan-1-one
CID 10821734

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methyl-3-prop-2-enyloxiran-2-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(3-methyl-3-prop-2-enyloxiran-2-yl)propan-1-one (CID 10678695) is 2-methyl-1-(3-methyl-3-prop-2-enyloxiran-2-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(3-methyl-3-prop-2-enyloxiran-2-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(3-methyl-3-prop-2-enyloxiran-2-yl)propan-1-one is C=CCC1(C)OC1C(=O)C(C)C.
What is the InChIKey of 2-methyl-1-(3-methyl-3-prop-2-enyloxiran-2-yl)propan-1-one?
The InChIKey is YUXXAOPBZPOYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-6-10(4)9(12-10)8(11)7(2)3/h5,7,9H,1,6H2,2-4H3.
What are the key properties of 2-methyl-1-(3-methyl-3-prop-2-enyloxiran-2-yl)propan-1-one?
2-methyl-1-(3-methyl-3-prop-2-enyloxiran-2-yl)propan-1-one has a molecular weight of 168.24 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methyl-3-prop-2-enyloxiran-2-yl)propan-1-one is sourced from PubChem (CID 10678695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).