1-(3-ethyl-3-pent-4-en-2-yloxiran-2-yl)ethanone

C11H18O2 — CID 10631290

IUPAC1-(3-ethyl-3-pent-4-en-2-yloxiran-2-yl)ethanone
SMILESC=CCC(C)C1(CC)OC1C(C)=O
InChIInChI=1S/C11H18O2/c1-5-7-8(3)11(6-2)10(13-11)9(4)12/h5,8,10H,1,6-7H2,2-4H3
InChIKeyINGQVFAYHFIICW-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.34
Rot. Bonds5

About 1-(3-ethyl-3-pent-4-en-2-yloxiran-2-yl)ethanone

1-(3-ethyl-3-pent-4-en-2-yloxiran-2-yl)ethanone (PubChem CID 10631290) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-(3-ethyl-3-pent-4-en-2-yloxiran-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-ethyl-3-pent-4-en-2-yloxiran-2-yl)ethanone
PubChem CID10631290
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-(3-ethyl-3-pent-4-en-2-yloxiran-2-yl)ethanone
SMILESC=CCC(C)C1(CC)OC1C(C)=O
InChIInChI=1S/C11H18O2/c1-5-7-8(3)11(6-2)10(13-11)9(4)12/h5,8,10H,1,6-7H2,2-4H3
InChIKeyINGQVFAYHFIICW-UHFFFAOYSA-N
XLogP2.34
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.34
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
1-(3-But-3-enyloxiran-2-yl)ethanone
CID 10630577
1-[(2S,3R)-3-but-3-enyloxiran-2-yl]ethanone
CID 93497905
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
2-Methyl-1-(3-methyl-3-prop-2-enyloxiran-2-yl)propan-1-one
CID 10678695
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 1-(3-ethyl-3-pent-4-en-2-yloxiran-2-yl)ethanone?
The IUPAC name of 1-(3-ethyl-3-pent-4-en-2-yloxiran-2-yl)ethanone (CID 10631290) is 1-(3-ethyl-3-pent-4-en-2-yloxiran-2-yl)ethanone.
What is the SMILES notation for 1-(3-ethyl-3-pent-4-en-2-yloxiran-2-yl)ethanone?
The canonical SMILES for 1-(3-ethyl-3-pent-4-en-2-yloxiran-2-yl)ethanone is C=CCC(C)C1(CC)OC1C(C)=O.
What is the InChIKey of 1-(3-ethyl-3-pent-4-en-2-yloxiran-2-yl)ethanone?
The InChIKey is INGQVFAYHFIICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-5-7-8(3)11(6-2)10(13-11)9(4)12/h5,8,10H,1,6-7H2,2-4H3.
What are the key properties of 1-(3-ethyl-3-pent-4-en-2-yloxiran-2-yl)ethanone?
1-(3-ethyl-3-pent-4-en-2-yloxiran-2-yl)ethanone has a molecular weight of 182.26 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-3-pent-4-en-2-yloxiran-2-yl)ethanone is sourced from PubChem (CID 10631290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).