[(4S,7aS)-1-[1-(2-methoxyethenyl)cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-tert-butyl-dimethylsilane

C22H38O2Si — CID 70897218

IUPAC[(4S,7aS)-1-[1-(2-methoxyethenyl)cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCOC=CC1(C2=CCC3[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]23C)CC1
InChIInChI=1S/C22H38O2Si/c1-20(2,3)25(6,7)24-18-9-8-12-21(4)17(18)10-11-19(21)22(13-14-22)15-16-23-5/h11,15-18H,8-10,12-14H2,1-7H3/t17?,18-,21-/m0/s1
InChIKeyYATUYDRRNHSNNG-VLQCZPCNSA-N
MW362.63 g/mol
LogP6.45
Rot. Bonds5

About [(4S,7aS)-1-[1-(2-methoxyethenyl)cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-tert-butyl-dimethylsilane

[(4S,7aS)-1-[1-(2-methoxyethenyl)cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 70897218) has the molecular formula C22H38O2Si and a molecular weight of 362.63 g/mol. Its IUPAC name is [(4S,7aS)-1-[1-(2-methoxyethenyl)cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(4S,7aS)-1-[1-(2-methoxyethenyl)cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
PubChem CID70897218
Molecular FormulaC22H38O2Si
Molecular Weight362.63 g/mol
Exact Mass362.26
IUPAC Name[(4S,7aS)-1-[1-(2-methoxyethenyl)cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCOC=CC1(C2=CCC3[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]23C)CC1
InChIInChI=1S/C22H38O2Si/c1-20(2,3)25(6,7)24-18-9-8-12-21(4)17(18)10-11-19(21)22(13-14-22)15-16-23-5/h11,15-18H,8-10,12-14H2,1-7H3/t17?,18-,21-/m0/s1
InChIKeyYATUYDRRNHSNNG-VLQCZPCNSA-N
XLogP6.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.63
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(4S,7aS)-1-[1-(2-methoxyethenyl)cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]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 [(4S,7aS)-1-[1-(2-methoxyethenyl)cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(4S,7aS)-1-[1-(2-methoxyethenyl)cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-tert-butyl-dimethylsilane (CID 70897218) is [(4S,7aS)-1-[1-(2-methoxyethenyl)cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(4S,7aS)-1-[1-(2-methoxyethenyl)cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(4S,7aS)-1-[1-(2-methoxyethenyl)cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-tert-butyl-dimethylsilane is COC=CC1(C2=CCC3[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]23C)CC1.
What is the InChIKey of [(4S,7aS)-1-[1-(2-methoxyethenyl)cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is YATUYDRRNHSNNG-VLQCZPCNSA-N. The full InChI is InChI=1S/C22H38O2Si/c1-20(2,3)25(6,7)24-18-9-8-12-21(4)17(18)10-11-19(21)22(13-14-22)15-16-23-5/h11,15-18H,8-10,12-14H2,1-7H3/t17?,18-,21-/m0/s1.
What are the key properties of [(4S,7aS)-1-[1-(2-methoxyethenyl)cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
[(4S,7aS)-1-[1-(2-methoxyethenyl)cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 362.63 g/mol, XLogP of 6.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,7aS)-1-[1-(2-methoxyethenyl)cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 70897218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).