1-[3-[2-methyl-2-(3-prop-1-en-2-ylcyclopropen-1-yl)propyl]oxiran-2-yl]ethanone

C14H20O2 — CID 13173656

IUPAC1-[3-[2-methyl-2-(3-prop-1-en-2-ylcyclopropen-1-yl)propyl]oxiran-2-yl]ethanone
SMILESC=C(C)C1C=C1C(C)(C)CC1OC1C(C)=O
InChIInChI=1S/C14H20O2/c1-8(2)10-6-11(10)14(4,5)7-12-13(16-12)9(3)15/h6,10,12-13H,1,7H2,2-5H3
InChIKeyCPUIZLOSEHKDFZ-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.89
Rot. Bonds5

About 1-[3-[2-methyl-2-(3-prop-1-en-2-ylcyclopropen-1-yl)propyl]oxiran-2-yl]ethanone

1-[3-[2-methyl-2-(3-prop-1-en-2-ylcyclopropen-1-yl)propyl]oxiran-2-yl]ethanone (PubChem CID 13173656) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-[3-[2-methyl-2-(3-prop-1-en-2-ylcyclopropen-1-yl)propyl]oxiran-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-[2-methyl-2-(3-prop-1-en-2-ylcyclopropen-1-yl)propyl]oxiran-2-yl]ethanone
PubChem CID13173656
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-[3-[2-methyl-2-(3-prop-1-en-2-ylcyclopropen-1-yl)propyl]oxiran-2-yl]ethanone
SMILESC=C(C)C1C=C1C(C)(C)CC1OC1C(C)=O
InChIInChI=1S/C14H20O2/c1-8(2)10-6-11(10)14(4,5)7-12-13(16-12)9(3)15/h6,10,12-13H,1,7H2,2-5H3
InChIKeyCPUIZLOSEHKDFZ-UHFFFAOYSA-N
XLogP2.89
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.89
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'}

Analyze 1-[3-[2-methyl-2-(3-prop-1-en-2-ylcyclopropen-1-yl)propyl]oxiran-2-yl]ethanone with MolForge

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Related Compounds

(3S,5R,8E,12R,13R)-9,12,13-trimethyl-16-methylidene-4-oxatricyclo[10.3.1.03,5]hexadeca-1(15),8-dien-2-one
CID 168283401
1-[(2R,3S)-3-[(1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]oxiran-2-yl]ethanone
CID 162911834
1-[3-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-oxiranyl]ethanone
CID 538944
(5E)-6,10-dimethyl-3-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-5-en-2-one
CID 171346100
Phomactin R
CID 146684486
(1R,3E,7E,11R)-5,5,8-trimethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene-1-carbaldehyde
CID 162992712
(1R,5S,6Z,10R)-8-methylidene-5-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-one
CID 88606809
(3S,5R,8E,13R)-5,9,12,13-tetramethyl-16-methylidene-4-oxatricyclo[10.3.1.03,5]hexadeca-1(15),8-dien-2-one
CID 133083326
Sinularone B
CID 6443381
(1S,4S,14S)-1,7,11-trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-one
CID 162995122
(3S,5R,12S,13R)-5,9,12,13-tetramethyl-16-methylidene-4-oxatricyclo[10.3.1.03,5]hexadeca-1(15),8-dien-2-one
CID 172014721
1-(2-[3-(2-Acetyloxiran-2-yl)-1,1-dimethylpropyl]cycloprop-2-enyl)ethanone
CID 540318

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-methyl-2-(3-prop-1-en-2-ylcyclopropen-1-yl)propyl]oxiran-2-yl]ethanone?
The IUPAC name of 1-[3-[2-methyl-2-(3-prop-1-en-2-ylcyclopropen-1-yl)propyl]oxiran-2-yl]ethanone (CID 13173656) is 1-[3-[2-methyl-2-(3-prop-1-en-2-ylcyclopropen-1-yl)propyl]oxiran-2-yl]ethanone.
What is the SMILES notation for 1-[3-[2-methyl-2-(3-prop-1-en-2-ylcyclopropen-1-yl)propyl]oxiran-2-yl]ethanone?
The canonical SMILES for 1-[3-[2-methyl-2-(3-prop-1-en-2-ylcyclopropen-1-yl)propyl]oxiran-2-yl]ethanone is C=C(C)C1C=C1C(C)(C)CC1OC1C(C)=O.
What is the InChIKey of 1-[3-[2-methyl-2-(3-prop-1-en-2-ylcyclopropen-1-yl)propyl]oxiran-2-yl]ethanone?
The InChIKey is CPUIZLOSEHKDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-8(2)10-6-11(10)14(4,5)7-12-13(16-12)9(3)15/h6,10,12-13H,1,7H2,2-5H3.
What are the key properties of 1-[3-[2-methyl-2-(3-prop-1-en-2-ylcyclopropen-1-yl)propyl]oxiran-2-yl]ethanone?
1-[3-[2-methyl-2-(3-prop-1-en-2-ylcyclopropen-1-yl)propyl]oxiran-2-yl]ethanone has a molecular weight of 220.31 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-methyl-2-(3-prop-1-en-2-ylcyclopropen-1-yl)propyl]oxiran-2-yl]ethanone is sourced from PubChem (CID 13173656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).