(4E)-4-[(E)-oct-2-enylidene]-1,1-diphenyl-3,3a-dihydro-2H-cyclopenta[b]silol-5-one

C27H30OSi — CID 11475030

IUPAC(4E)-4-[(E)-oct-2-enylidene]-1,1-diphenyl-3,3a-dihydro-2H-cyclopenta[b]silol-5-one
SMILESCCCCC/C=C/C=C1/C(=O)C=C2C1CC[Si]2(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30OSi/c1-2-3-4-5-6-13-18-24-25-19-20-29(27(25)21-26(24)28,22-14-9-7-10-15-22)23-16-11-8-12-17-23/h6-18,21,25H,2-5,19-20H2,1H3/b13-6+,24-18+
InChIKeyOWJNEBKXMBOIQF-NUECESNVSA-N
MW398.62 g/mol
LogP5.38
Rot. Bonds7

About (4E)-4-[(E)-oct-2-enylidene]-1,1-diphenyl-3,3a-dihydro-2H-cyclopenta[b]silol-5-one

(4E)-4-[(E)-oct-2-enylidene]-1,1-diphenyl-3,3a-dihydro-2H-cyclopenta[b]silol-5-one (PubChem CID 11475030) has the molecular formula C27H30OSi and a molecular weight of 398.62 g/mol. Its IUPAC name is (4E)-4-[(E)-oct-2-enylidene]-1,1-diphenyl-3,3a-dihydro-2H-cyclopenta[b]silol-5-one.

Molecular Properties

Compound Name(4E)-4-[(E)-oct-2-enylidene]-1,1-diphenyl-3,3a-dihydro-2H-cyclopenta[b]silol-5-one
PubChem CID11475030
Molecular FormulaC27H30OSi
Molecular Weight398.62 g/mol
Exact Mass398.21
IUPAC Name(4E)-4-[(E)-oct-2-enylidene]-1,1-diphenyl-3,3a-dihydro-2H-cyclopenta[b]silol-5-one
SMILESCCCCC/C=C/C=C1/C(=O)C=C2C1CC[Si]2(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30OSi/c1-2-3-4-5-6-13-18-24-25-19-20-29(27(25)21-26(24)28,22-14-9-7-10-15-22)23-16-11-8-12-17-23/h6-18,21,25H,2-5,19-20H2,1H3/b13-6+,24-18+
InChIKeyOWJNEBKXMBOIQF-NUECESNVSA-N
XLogP5.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.62
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4S,5E)-4-methyl-5-[(E)-oct-2-enylidene]cyclopent-2-en-1-one
CID 89313735
(4S,5E)-4-[(Z)-hept-2-enyl]-5-[(E)-hept-2-enylidene]cyclopent-2-en-1-one
CID 58060828
methane;bis((Z)-7-[(1S,5E)-5-[(E)-oct-2-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid)
CID 160562187
(5E)-4-[(E)-7-methyloct-2-enyl]-5-[(E)-oct-2-enylidene]cyclopent-2-en-1-one
CID 58657859
octadeca-1,3-dienylbenzene
CID 54155436
[(E)-dec-1-enyl]-phenyliodanium
CID 10906117
[(1E,3E)-undeca-1,3-dienyl]benzene
CID 10633133
(Z)-7-[(1R,2E,5S)-5-hydroxy-2-[(E)-oct-2-enylidene]-3-oxocyclopentyl]hept-5-enoic acid
CID 5283052
[(E)-non-3-enyl] benzenesulfonate
CID 102487248
methyl (Z)-7-[(1S,5E)-5-[(E)-dodec-2-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate
CID 101429474
[(2E)-2-hexylidenecyclopentyl]benzene
CID 15354301
[(Z)-octadec-9-enyl] benzenesulfonate
CID 87391110

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(E)-oct-2-enylidene]-1,1-diphenyl-3,3a-dihydro-2H-cyclopenta[b]silol-5-one?
The IUPAC name of (4E)-4-[(E)-oct-2-enylidene]-1,1-diphenyl-3,3a-dihydro-2H-cyclopenta[b]silol-5-one (CID 11475030) is (4E)-4-[(E)-oct-2-enylidene]-1,1-diphenyl-3,3a-dihydro-2H-cyclopenta[b]silol-5-one.
What is the SMILES notation for (4E)-4-[(E)-oct-2-enylidene]-1,1-diphenyl-3,3a-dihydro-2H-cyclopenta[b]silol-5-one?
The canonical SMILES for (4E)-4-[(E)-oct-2-enylidene]-1,1-diphenyl-3,3a-dihydro-2H-cyclopenta[b]silol-5-one is CCCCC/C=C/C=C1/C(=O)C=C2C1CC[Si]2(c1ccccc1)c1ccccc1.
What is the InChIKey of (4E)-4-[(E)-oct-2-enylidene]-1,1-diphenyl-3,3a-dihydro-2H-cyclopenta[b]silol-5-one?
The InChIKey is OWJNEBKXMBOIQF-NUECESNVSA-N. The full InChI is InChI=1S/C27H30OSi/c1-2-3-4-5-6-13-18-24-25-19-20-29(27(25)21-26(24)28,22-14-9-7-10-15-22)23-16-11-8-12-17-23/h6-18,21,25H,2-5,19-20H2,1H3/b13-6+,24-18+.
What are the key properties of (4E)-4-[(E)-oct-2-enylidene]-1,1-diphenyl-3,3a-dihydro-2H-cyclopenta[b]silol-5-one?
(4E)-4-[(E)-oct-2-enylidene]-1,1-diphenyl-3,3a-dihydro-2H-cyclopenta[b]silol-5-one has a molecular weight of 398.62 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(E)-oct-2-enylidene]-1,1-diphenyl-3,3a-dihydro-2H-cyclopenta[b]silol-5-one is sourced from PubChem (CID 11475030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).