1-[2,5-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-3H-furan-4-yl]ethanone

C15H22O2 — CID 10633477

IUPAC1-[2,5-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-3H-furan-4-yl]ethanone
SMILESCC(=O)C1=C(C)OC(C)(C2CC=C(C)CC2)C1
InChIInChI=1S/C15H22O2/c1-10-5-7-13(8-6-10)15(4)9-14(11(2)16)12(3)17-15/h5,13H,6-9H2,1-4H3
InChIKeyIODXKCSYYYMESM-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.77
Rot. Bonds2

About 1-[2,5-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-3H-furan-4-yl]ethanone

1-[2,5-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-3H-furan-4-yl]ethanone (PubChem CID 10633477) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[2,5-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-3H-furan-4-yl]ethanone.

Molecular Properties

Compound Name1-[2,5-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-3H-furan-4-yl]ethanone
PubChem CID10633477
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-[2,5-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-3H-furan-4-yl]ethanone
SMILESCC(=O)C1=C(C)OC(C)(C2CC=C(C)CC2)C1
InChIInChI=1S/C15H22O2/c1-10-5-7-13(8-6-10)15(4)9-14(11(2)16)12(3)17-15/h5,13H,6-9H2,1-4H3
InChIKeyIODXKCSYYYMESM-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.77
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

sodium 5-methyl-5-[(1R)-4-methylcyclohex-3-en-1-yl]-4H-1,2-oxazole-3-carboxylate
CID 90486303
4-hydroxy-2-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]-3H-1-benzofuran-7-carbaldehyde
CID 10401039
4-hydroxy-2-methyl-2-(4-methylcyclohex-3-en-1-yl)-3H-1-benzofuran-7-carbaldehyde
CID 19028266
ethyl 5-methyl-5-[(1S)-4-methylcyclohex-3-en-1-yl]-4H-1,2-oxazole-3-carboxylate
CID 126965212
methyl 2-methyl-2-(4-methylcyclohex-3-en-1-yl)cyclopropane-1-carboxylate
CID 101343434
(4R,6S)-2,2,6-trimethyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-4-ol
CID 101162781
1-[(1'R,4'R)-1',5,7',7'-tetramethylspiro[3H-furan-2,2'-bicyclo[2.2.1]heptane]-4-yl]ethanone
CID 11218877
(1S,3Z,7R)-4,11,11-trimethylbicyclo[5.3.1]undec-3-en-8-one
CID 10998207
5-hydroxy-2,6,6-trimethyl-2-(4-methylcyclohex-3-en-1-yl)pyran-3-one
CID 163045523
1-(4-methylcyclohex-3-en-1-yl)propane-1,2-dione
CID 130027299
4-[(2S)-2-methyloxiran-2-yl]cyclohexene-1-carbaldehyde
CID 129250076
(2S,4aR,10bR)-2,5,5-trimethyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]-3,4,4a,10b-tetrahydropyrano[3,2-c]chromene
CID 7375000

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-3H-furan-4-yl]ethanone?
The IUPAC name of 1-[2,5-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-3H-furan-4-yl]ethanone (CID 10633477) is 1-[2,5-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-3H-furan-4-yl]ethanone.
What is the SMILES notation for 1-[2,5-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-3H-furan-4-yl]ethanone?
The canonical SMILES for 1-[2,5-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-3H-furan-4-yl]ethanone is CC(=O)C1=C(C)OC(C)(C2CC=C(C)CC2)C1.
What is the InChIKey of 1-[2,5-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-3H-furan-4-yl]ethanone?
The InChIKey is IODXKCSYYYMESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-10-5-7-13(8-6-10)15(4)9-14(11(2)16)12(3)17-15/h5,13H,6-9H2,1-4H3.
What are the key properties of 1-[2,5-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-3H-furan-4-yl]ethanone?
1-[2,5-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-3H-furan-4-yl]ethanone has a molecular weight of 234.34 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-3H-furan-4-yl]ethanone is sourced from PubChem (CID 10633477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).