(4R)-3-[6-(furan-3-yl)-3-methylhex-3-enyl]-2-methyl-4-propan-2-ylcyclopent-2-en-1-one

C20H28O2 — CID 162930245

IUPAC(4R)-3-[6-(furan-3-yl)-3-methylhex-3-enyl]-2-methyl-4-propan-2-ylcyclopent-2-en-1-one
SMILESCC(=CCCc1ccoc1)CCC1=C(C)C(=O)C[C@@H]1C(C)C
InChIInChI=1S/C20H28O2/c1-14(2)19-12-20(21)16(4)18(19)9-8-15(3)6-5-7-17-10-11-22-13-17/h6,10-11,13-14,19H,5,7-9,12H2,1-4H3/t19-/m1/s1
InChIKeyZVHLCWDOBXXLQC-LJQANCHMSA-N
MW300.44 g/mol
LogP5.50
Rot. Bonds7

About (4R)-3-[6-(furan-3-yl)-3-methylhex-3-enyl]-2-methyl-4-propan-2-ylcyclopent-2-en-1-one

(4R)-3-[6-(furan-3-yl)-3-methylhex-3-enyl]-2-methyl-4-propan-2-ylcyclopent-2-en-1-one (PubChem CID 162930245) has the molecular formula C20H28O2 and a molecular weight of 300.44 g/mol. Its IUPAC name is (4R)-3-[6-(furan-3-yl)-3-methylhex-3-enyl]-2-methyl-4-propan-2-ylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-3-[6-(furan-3-yl)-3-methylhex-3-enyl]-2-methyl-4-propan-2-ylcyclopent-2-en-1-one
PubChem CID162930245
Molecular FormulaC20H28O2
Molecular Weight300.44 g/mol
Exact Mass300.21
IUPAC Name(4R)-3-[6-(furan-3-yl)-3-methylhex-3-enyl]-2-methyl-4-propan-2-ylcyclopent-2-en-1-one
SMILESCC(=CCCc1ccoc1)CCC1=C(C)C(=O)C[C@@H]1C(C)C
InChIInChI=1S/C20H28O2/c1-14(2)19-12-20(21)16(4)18(19)9-8-15(3)6-5-7-17-10-11-22-13-17/h6,10-11,13-14,19H,5,7-9,12H2,1-4H3/t19-/m1/s1
InChIKeyZVHLCWDOBXXLQC-LJQANCHMSA-N
XLogP5.50
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.44
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R)-3-[6-(furan-3-yl)-3-methylhex-3-enyl]-2-methyl-4-propan-2-ylcyclopent-2-en-1-one with MolForge

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Launch Full Analysis

Related Compounds

3-[(3E)-4,8-dimethylnona-3,7-dienyl]furan
CID 5316534
3-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15-tetraenyl)furan
CID 123833340
3-(4,8,12,16-tetramethylhenicosa-3,7,11,15,19-pentaenyl)furan
CID 123177359
(5Z)-5-[(2R,5E)-13-(furan-3-yl)-2,6,10-trimethyltrideca-5,10-dienylidene]-4-hydroxy-3-methylfuran-2-one
CID 162949938
(5Z)-5-[(2R,5Z,10Z)-13-(furan-3-yl)-2,6,10-trimethyltrideca-5,10-dienylidene]-4-hydroxy-3-methylfuran-2-one
CID 54726686
(5Z)-5-[(2R,6Z,10Z)-13-(furan-3-yl)-2,6,10-trimethyltrideca-6,10-dienylidene]-4-hydroxy-3-methylfuran-2-one
CID 102074166
3-(4,8-dimethylpentadeca-3,7-dienyl)furan
CID 74218572
3-(4,8,12,16-tetramethylicosa-3,7,11,15,18-pentaenyl)furan
CID 123271436
3-[(3E,7E,11E,15E,19E)-4,8,12,16,20-pentamethyltetracosa-3,7,11,15,19-pentaen-23-ynyl]furan
CID 89431367
3-[(3E,7E,11E,15E,19E)-4,8,12,16,20,22-hexamethyltricosa-3,7,11,15,19,21-hexaenyl]furan
CID 89431414
3-(4,8,12,16-tetramethylnonadeca-3,7,11,15-tetraen-18-ynyl)furan
CID 123470713
(2R)-2-[(2R,5E,9E)-13-(furan-3-yl)-2,6,10-trimethyltrideca-5,9-dienyl]-3-hydroxy-4-methyl-2H-furan-5-one
CID 163190362

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[6-(furan-3-yl)-3-methylhex-3-enyl]-2-methyl-4-propan-2-ylcyclopent-2-en-1-one?
The IUPAC name of (4R)-3-[6-(furan-3-yl)-3-methylhex-3-enyl]-2-methyl-4-propan-2-ylcyclopent-2-en-1-one (CID 162930245) is (4R)-3-[6-(furan-3-yl)-3-methylhex-3-enyl]-2-methyl-4-propan-2-ylcyclopent-2-en-1-one.
What is the SMILES notation for (4R)-3-[6-(furan-3-yl)-3-methylhex-3-enyl]-2-methyl-4-propan-2-ylcyclopent-2-en-1-one?
The canonical SMILES for (4R)-3-[6-(furan-3-yl)-3-methylhex-3-enyl]-2-methyl-4-propan-2-ylcyclopent-2-en-1-one is CC(=CCCc1ccoc1)CCC1=C(C)C(=O)C[C@@H]1C(C)C.
What is the InChIKey of (4R)-3-[6-(furan-3-yl)-3-methylhex-3-enyl]-2-methyl-4-propan-2-ylcyclopent-2-en-1-one?
The InChIKey is ZVHLCWDOBXXLQC-LJQANCHMSA-N. The full InChI is InChI=1S/C20H28O2/c1-14(2)19-12-20(21)16(4)18(19)9-8-15(3)6-5-7-17-10-11-22-13-17/h6,10-11,13-14,19H,5,7-9,12H2,1-4H3/t19-/m1/s1.
What are the key properties of (4R)-3-[6-(furan-3-yl)-3-methylhex-3-enyl]-2-methyl-4-propan-2-ylcyclopent-2-en-1-one?
(4R)-3-[6-(furan-3-yl)-3-methylhex-3-enyl]-2-methyl-4-propan-2-ylcyclopent-2-en-1-one has a molecular weight of 300.44 g/mol, XLogP of 5.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[6-(furan-3-yl)-3-methylhex-3-enyl]-2-methyl-4-propan-2-ylcyclopent-2-en-1-one is sourced from PubChem (CID 162930245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).