[(1R,3S,5S)-1-[(1R,2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-methoxyethyl]-2-methylidene-3-bicyclo[3.1.0]hexanyl]oxy-tert-butyl-dimethylsilane

C35H60O2Si — CID 44624988

IUPAC[(1R,3S,5S)-1-[(1R,2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-methoxyethyl]-2-methylidene-3-bicyclo[3.1.0]hexanyl]oxy-tert-butyl-dimethylsilane
SMILESC=C1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]2C[C@]12[C@@H](/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]12)OC
InChIInChI=1S/C35H60O2Si/c1-23(2)24(3)15-16-25(4)29-17-18-30-27(14-13-19-34(29,30)9)20-32(36-10)35-22-28(35)21-31(26(35)5)37-38(11,12)33(6,7)8/h15-16,20,23-25,28-32H,5,13-14,17-19,21-22H2,1-4,6-12H3/b16-15+,27-20+/t24-,25+,28+,29+,30-,31-,32+,34+,35-/m0/s1
InChIKeyURPFOPVIXLLNOH-HSRXTBAQSA-N
MW540.95 g/mol
LogP9.99
Rot. Bonds9

About [(1R,3S,5S)-1-[(1R,2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-methoxyethyl]-2-methylidene-3-bicyclo[3.1.0]hexanyl]oxy-tert-butyl-dimethylsilane

[(1R,3S,5S)-1-[(1R,2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-methoxyethyl]-2-methylidene-3-bicyclo[3.1.0]hexanyl]oxy-tert-butyl-dimethylsilane (PubChem CID 44624988) has the molecular formula C35H60O2Si and a molecular weight of 540.95 g/mol. Its IUPAC name is [(1R,3S,5S)-1-[(1R,2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-methoxyethyl]-2-methylidene-3-bicyclo[3.1.0]hexanyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,3S,5S)-1-[(1R,2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-methoxyethyl]-2-methylidene-3-bicyclo[3.1.0]hexanyl]oxy-tert-butyl-dimethylsilane
PubChem CID44624988
Molecular FormulaC35H60O2Si
Molecular Weight540.95 g/mol
Exact Mass540.44
IUPAC Name[(1R,3S,5S)-1-[(1R,2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-methoxyethyl]-2-methylidene-3-bicyclo[3.1.0]hexanyl]oxy-tert-butyl-dimethylsilane
SMILESC=C1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]2C[C@]12[C@@H](/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]12)OC
InChIInChI=1S/C35H60O2Si/c1-23(2)24(3)15-16-25(4)29-17-18-30-27(14-13-19-34(29,30)9)20-32(36-10)35-22-28(35)21-31(26(35)5)37-38(11,12)33(6,7)8/h15-16,20,23-25,28-32H,5,13-14,17-19,21-22H2,1-4,6-12H3/b16-15+,27-20+/t24-,25+,28+,29+,30-,31-,32+,34+,35-/m0/s1
InChIKeyURPFOPVIXLLNOH-HSRXTBAQSA-N
XLogP9.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.95
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1R,3S,5S)-1-[(1R,2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-methoxyethyl]-2-methylidene-3-bicyclo[3.1.0]hexanyl]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 [(1R,3S,5S)-1-[(1R,2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-methoxyethyl]-2-methylidene-3-bicyclo[3.1.0]hexanyl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,3S,5S)-1-[(1R,2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-methoxyethyl]-2-methylidene-3-bicyclo[3.1.0]hexanyl]oxy-tert-butyl-dimethylsilane (CID 44624988) is [(1R,3S,5S)-1-[(1R,2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-methoxyethyl]-2-methylidene-3-bicyclo[3.1.0]hexanyl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R,3S,5S)-1-[(1R,2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-methoxyethyl]-2-methylidene-3-bicyclo[3.1.0]hexanyl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,3S,5S)-1-[(1R,2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-methoxyethyl]-2-methylidene-3-bicyclo[3.1.0]hexanyl]oxy-tert-butyl-dimethylsilane is C=C1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]2C[C@]12[C@@H](/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]12)OC.
What is the InChIKey of [(1R,3S,5S)-1-[(1R,2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-methoxyethyl]-2-methylidene-3-bicyclo[3.1.0]hexanyl]oxy-tert-butyl-dimethylsilane?
The InChIKey is URPFOPVIXLLNOH-HSRXTBAQSA-N. The full InChI is InChI=1S/C35H60O2Si/c1-23(2)24(3)15-16-25(4)29-17-18-30-27(14-13-19-34(29,30)9)20-32(36-10)35-22-28(35)21-31(26(35)5)37-38(11,12)33(6,7)8/h15-16,20,23-25,28-32H,5,13-14,17-19,21-22H2,1-4,6-12H3/b16-15+,27-20+/t24-,25+,28+,29+,30-,31-,32+,34+,35-/m0/s1.
What are the key properties of [(1R,3S,5S)-1-[(1R,2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-methoxyethyl]-2-methylidene-3-bicyclo[3.1.0]hexanyl]oxy-tert-butyl-dimethylsilane?
[(1R,3S,5S)-1-[(1R,2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-methoxyethyl]-2-methylidene-3-bicyclo[3.1.0]hexanyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 540.95 g/mol, XLogP of 9.99, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S,5S)-1-[(1R,2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-methoxyethyl]-2-methylidene-3-bicyclo[3.1.0]hexanyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 44624988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).