1-[2-ethenyl-5-methyl-2-(4-methylpent-3-enyl)-3H-furan-4-yl]ethanone

C15H22O2 — CID 12717498

IUPAC1-[2-ethenyl-5-methyl-2-(4-methylpent-3-enyl)-3H-furan-4-yl]ethanone
SMILESC=CC1(CCC=C(C)C)CC(C(C)=O)=C(C)O1
InChIInChI=1S/C15H22O2/c1-6-15(9-7-8-11(2)3)10-14(12(4)16)13(5)17-15/h6,8H,1,7,9-10H2,2-5H3
InChIKeyFLXLFMHVJIWEOC-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.94
Rot. Bonds5

About 1-[2-ethenyl-5-methyl-2-(4-methylpent-3-enyl)-3H-furan-4-yl]ethanone

1-[2-ethenyl-5-methyl-2-(4-methylpent-3-enyl)-3H-furan-4-yl]ethanone (PubChem CID 12717498) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[2-ethenyl-5-methyl-2-(4-methylpent-3-enyl)-3H-furan-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-ethenyl-5-methyl-2-(4-methylpent-3-enyl)-3H-furan-4-yl]ethanone
PubChem CID12717498
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-[2-ethenyl-5-methyl-2-(4-methylpent-3-enyl)-3H-furan-4-yl]ethanone
SMILESC=CC1(CCC=C(C)C)CC(C(C)=O)=C(C)O1
InChIInChI=1S/C15H22O2/c1-6-15(9-7-8-11(2)3)10-14(12(4)16)13(5)17-15/h6,8H,1,7,9-10H2,2-5H3
InChIKeyFLXLFMHVJIWEOC-UHFFFAOYSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6,10,10-Tetramethyl-1-oxaspiro(4,5)deca-2,6-dien-8-one
CID 44147198
8,9-Dehydrotheaspirone
CID 11745805
(5R)-2,6,10,10-Tetramethyl-1-oxaspiro[4.5]deca-2,6-dien-8-one
CID 71348468
2-Methyl-3-acetyl-5-methyl-5-vinyl-4,5-dihydrofuran
CID 12717496
4-Butyl-4-methoxy-3-methylcyclohex-2-en-1-one
CID 134987218
1-(2-Methyl-3a,4,5,8,9,9a-hexahydrocycloocta[b]furan-3-yl)ethanone
CID 10560215
2-Methyl-1-oxaspiro[4.5]deca-2,6-dien-8-one
CID 141530491
2,4,4,6,6,7,7,10-Octamethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one
CID 156773033
Non-1-ene;2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one
CID 174922524
1-[2,5-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-3H-furan-4-yl]ethanone
CID 10633477
2-ethenyl-6,6-dimethyl-2-(4-methylpent-3-enyl)-5,7-dihydro-3H-1-benzofuran-4-one
CID 11482732
1-(2-ethyl-2,5-dimethyl-3H-furan-4-yl)ethanone
CID 12838693

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethenyl-5-methyl-2-(4-methylpent-3-enyl)-3H-furan-4-yl]ethanone?
The IUPAC name of 1-[2-ethenyl-5-methyl-2-(4-methylpent-3-enyl)-3H-furan-4-yl]ethanone (CID 12717498) is 1-[2-ethenyl-5-methyl-2-(4-methylpent-3-enyl)-3H-furan-4-yl]ethanone.
What is the SMILES notation for 1-[2-ethenyl-5-methyl-2-(4-methylpent-3-enyl)-3H-furan-4-yl]ethanone?
The canonical SMILES for 1-[2-ethenyl-5-methyl-2-(4-methylpent-3-enyl)-3H-furan-4-yl]ethanone is C=CC1(CCC=C(C)C)CC(C(C)=O)=C(C)O1.
What is the InChIKey of 1-[2-ethenyl-5-methyl-2-(4-methylpent-3-enyl)-3H-furan-4-yl]ethanone?
The InChIKey is FLXLFMHVJIWEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-6-15(9-7-8-11(2)3)10-14(12(4)16)13(5)17-15/h6,8H,1,7,9-10H2,2-5H3.
What are the key properties of 1-[2-ethenyl-5-methyl-2-(4-methylpent-3-enyl)-3H-furan-4-yl]ethanone?
1-[2-ethenyl-5-methyl-2-(4-methylpent-3-enyl)-3H-furan-4-yl]ethanone has a molecular weight of 234.34 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethenyl-5-methyl-2-(4-methylpent-3-enyl)-3H-furan-4-yl]ethanone is sourced from PubChem (CID 12717498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).