(4E,8E)-10-[(3S,3aS,4R,5S,6aR)-3,5-dimethyl-6-oxo-4-(3-trimethylsilylprop-2-ynyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]-4,8-dimethyldeca-4,8-dienal

C27H42O3Si — CID 134841228

IUPAC(4E,8E)-10-[(3S,3aS,4R,5S,6aR)-3,5-dimethyl-6-oxo-4-(3-trimethylsilylprop-2-ynyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]-4,8-dimethyldeca-4,8-dienal
SMILESC/C(=C\CC/C(C)=C/C[C@]1(C)C(=O)[C@@H]2OC[C@@H](C)[C@@H]2[C@H]1CC#C[Si](C)(C)C)CCC=O
InChIInChI=1S/C27H42O3Si/c1-20(13-9-17-28)11-8-12-21(2)15-16-27(4)23(14-10-18-31(5,6)7)24-22(3)19-30-25(24)26(27)29/h11,15,17,22-25H,8-9,12-14,16,19H2,1-7H3/b20-11+,21-15+/t22-,23-,24-,25-,27+/m1/s1
InChIKeyPQQZAIJDNLEETO-BCMFAVTBSA-N
MW442.72 g/mol
LogP6.16
Rot. Bonds9

About (4E,8E)-10-[(3S,3aS,4R,5S,6aR)-3,5-dimethyl-6-oxo-4-(3-trimethylsilylprop-2-ynyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]-4,8-dimethyldeca-4,8-dienal

(4E,8E)-10-[(3S,3aS,4R,5S,6aR)-3,5-dimethyl-6-oxo-4-(3-trimethylsilylprop-2-ynyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]-4,8-dimethyldeca-4,8-dienal (PubChem CID 134841228) has the molecular formula C27H42O3Si and a molecular weight of 442.72 g/mol. Its IUPAC name is (4E,8E)-10-[(3S,3aS,4R,5S,6aR)-3,5-dimethyl-6-oxo-4-(3-trimethylsilylprop-2-ynyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]-4,8-dimethyldeca-4,8-dienal.

Molecular Properties

Compound Name(4E,8E)-10-[(3S,3aS,4R,5S,6aR)-3,5-dimethyl-6-oxo-4-(3-trimethylsilylprop-2-ynyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]-4,8-dimethyldeca-4,8-dienal
PubChem CID134841228
Molecular FormulaC27H42O3Si
Molecular Weight442.72 g/mol
Exact Mass442.29
IUPAC Name(4E,8E)-10-[(3S,3aS,4R,5S,6aR)-3,5-dimethyl-6-oxo-4-(3-trimethylsilylprop-2-ynyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]-4,8-dimethyldeca-4,8-dienal
SMILESC/C(=C\CC/C(C)=C/C[C@]1(C)C(=O)[C@@H]2OC[C@@H](C)[C@@H]2[C@H]1CC#C[Si](C)(C)C)CCC=O
InChIInChI=1S/C27H42O3Si/c1-20(13-9-17-28)11-8-12-21(2)15-16-27(4)23(14-10-18-31(5,6)7)24-22(3)19-30-25(24)26(27)29/h11,15,17,22-25H,8-9,12-14,16,19H2,1-7H3/b20-11+,21-15+/t22-,23-,24-,25-,27+/m1/s1
InChIKeyPQQZAIJDNLEETO-BCMFAVTBSA-N
XLogP6.16
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.72
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4E,8E)-10-[(3S,3aS,4R,5S,6aR)-3,5-dimethyl-6-oxo-4-(3-trimethylsilylprop-2-ynyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]-4,8-dimethyldeca-4,8-dienal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4E,8E)-10-[(3S,3aS,4R,5S,6aR)-3,5-dimethyl-6-oxo-4-(3-trimethylsilylprop-2-ynyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]-4,8-dimethyldeca-4,8-dienal?
The IUPAC name of (4E,8E)-10-[(3S,3aS,4R,5S,6aR)-3,5-dimethyl-6-oxo-4-(3-trimethylsilylprop-2-ynyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]-4,8-dimethyldeca-4,8-dienal (CID 134841228) is (4E,8E)-10-[(3S,3aS,4R,5S,6aR)-3,5-dimethyl-6-oxo-4-(3-trimethylsilylprop-2-ynyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]-4,8-dimethyldeca-4,8-dienal.
What is the SMILES notation for (4E,8E)-10-[(3S,3aS,4R,5S,6aR)-3,5-dimethyl-6-oxo-4-(3-trimethylsilylprop-2-ynyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]-4,8-dimethyldeca-4,8-dienal?
The canonical SMILES for (4E,8E)-10-[(3S,3aS,4R,5S,6aR)-3,5-dimethyl-6-oxo-4-(3-trimethylsilylprop-2-ynyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]-4,8-dimethyldeca-4,8-dienal is C/C(=C\CC/C(C)=C/C[C@]1(C)C(=O)[C@@H]2OC[C@@H](C)[C@@H]2[C@H]1CC#C[Si](C)(C)C)CCC=O.
What is the InChIKey of (4E,8E)-10-[(3S,3aS,4R,5S,6aR)-3,5-dimethyl-6-oxo-4-(3-trimethylsilylprop-2-ynyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]-4,8-dimethyldeca-4,8-dienal?
The InChIKey is PQQZAIJDNLEETO-BCMFAVTBSA-N. The full InChI is InChI=1S/C27H42O3Si/c1-20(13-9-17-28)11-8-12-21(2)15-16-27(4)23(14-10-18-31(5,6)7)24-22(3)19-30-25(24)26(27)29/h11,15,17,22-25H,8-9,12-14,16,19H2,1-7H3/b20-11+,21-15+/t22-,23-,24-,25-,27+/m1/s1.
What are the key properties of (4E,8E)-10-[(3S,3aS,4R,5S,6aR)-3,5-dimethyl-6-oxo-4-(3-trimethylsilylprop-2-ynyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]-4,8-dimethyldeca-4,8-dienal?
(4E,8E)-10-[(3S,3aS,4R,5S,6aR)-3,5-dimethyl-6-oxo-4-(3-trimethylsilylprop-2-ynyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]-4,8-dimethyldeca-4,8-dienal has a molecular weight of 442.72 g/mol, XLogP of 6.16, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E)-10-[(3S,3aS,4R,5S,6aR)-3,5-dimethyl-6-oxo-4-(3-trimethylsilylprop-2-ynyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-5-yl]-4,8-dimethyldeca-4,8-dienal is sourced from PubChem (CID 134841228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).