[(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane

C34H58O3Si — CID 134882751

IUPAC[(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
SMILESC=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CCCC3(C)OCCO3)CC[C@@H]12
InChIInChI=1S/C34H58O3Si/c1-25-14-17-29(37-38(8,9)32(3,4)5)24-28(25)16-15-27-13-11-20-33(6)30(18-19-31(27)33)26(2)12-10-21-34(7)35-22-23-36-34/h15-16,26,29-31H,1,10-14,17-24H2,2-9H3/b27-15+,28-16-/t26-,29+,30-,31+,33-/m1/s1
InChIKeySRWNCYDGDWINIM-NUNCIPFYSA-N
MW542.92 g/mol
LogP9.76
Rot. Bonds8

About [(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane

[(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane (PubChem CID 134882751) has the molecular formula C34H58O3Si and a molecular weight of 542.92 g/mol. Its IUPAC name is [(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
PubChem CID134882751
Molecular FormulaC34H58O3Si
Molecular Weight542.92 g/mol
Exact Mass542.42
IUPAC Name[(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
SMILESC=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CCCC3(C)OCCO3)CC[C@@H]12
InChIInChI=1S/C34H58O3Si/c1-25-14-17-29(37-38(8,9)32(3,4)5)24-28(25)16-15-27-13-11-20-33(6)30(18-19-31(27)33)26(2)12-10-21-34(7)35-22-23-36-34/h15-16,26,29-31H,1,10-14,17-24H2,2-9H3/b27-15+,28-16-/t26-,29+,30-,31+,33-/m1/s1
InChIKeySRWNCYDGDWINIM-NUNCIPFYSA-N
XLogP9.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.92
LogP ≤ 59.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane 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 [(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane (CID 134882751) is [(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane is C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CCCC3(C)OCCO3)CC[C@@H]12.
What is the InChIKey of [(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane?
The InChIKey is SRWNCYDGDWINIM-NUNCIPFYSA-N. The full InChI is InChI=1S/C34H58O3Si/c1-25-14-17-29(37-38(8,9)32(3,4)5)24-28(25)16-15-27-13-11-20-33(6)30(18-19-31(27)33)26(2)12-10-21-34(7)35-22-23-36-34/h15-16,26,29-31H,1,10-14,17-24H2,2-9H3/b27-15+,28-16-/t26-,29+,30-,31+,33-/m1/s1.
What are the key properties of [(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane?
[(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 542.92 g/mol, XLogP of 9.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134882751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).