[(5S,7R,7aR)-3,7-dimethyl-5-(2-methylcyclopenten-1-yl)-1,2,4,6,7,7a-hexahydroinden-5-yl]oxy-trimethylsilane

C20H34OSi — CID 10591679

IUPAC[(5S,7R,7aR)-3,7-dimethyl-5-(2-methylcyclopenten-1-yl)-1,2,4,6,7,7a-hexahydroinden-5-yl]oxy-trimethylsilane
SMILESCC1=C2C[C@](O[Si](C)(C)C)(C3=C(C)CCC3)C[C@@H](C)[C@H]2CC1
InChIInChI=1S/C20H34OSi/c1-14-10-11-17-16(3)12-20(13-18(14)17,21-22(4,5)6)19-9-7-8-15(19)2/h16-17H,7-13H2,1-6H3/t16-,17-,20+/m1/s1
InChIKeyBRBKOBLMVZFEHB-HLIPFELVSA-N
MW318.58 g/mol
LogP6.23
Rot. Bonds3

About [(5S,7R,7aR)-3,7-dimethyl-5-(2-methylcyclopenten-1-yl)-1,2,4,6,7,7a-hexahydroinden-5-yl]oxy-trimethylsilane

[(5S,7R,7aR)-3,7-dimethyl-5-(2-methylcyclopenten-1-yl)-1,2,4,6,7,7a-hexahydroinden-5-yl]oxy-trimethylsilane (PubChem CID 10591679) has the molecular formula C20H34OSi and a molecular weight of 318.58 g/mol. Its IUPAC name is [(5S,7R,7aR)-3,7-dimethyl-5-(2-methylcyclopenten-1-yl)-1,2,4,6,7,7a-hexahydroinden-5-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(5S,7R,7aR)-3,7-dimethyl-5-(2-methylcyclopenten-1-yl)-1,2,4,6,7,7a-hexahydroinden-5-yl]oxy-trimethylsilane
PubChem CID10591679
Molecular FormulaC20H34OSi
Molecular Weight318.58 g/mol
Exact Mass318.24
IUPAC Name[(5S,7R,7aR)-3,7-dimethyl-5-(2-methylcyclopenten-1-yl)-1,2,4,6,7,7a-hexahydroinden-5-yl]oxy-trimethylsilane
SMILESCC1=C2C[C@](O[Si](C)(C)C)(C3=C(C)CCC3)C[C@@H](C)[C@H]2CC1
InChIInChI=1S/C20H34OSi/c1-14-10-11-17-16(3)12-20(13-18(14)17,21-22(4,5)6)19-9-7-8-15(19)2/h16-17H,7-13H2,1-6H3/t16-,17-,20+/m1/s1
InChIKeyBRBKOBLMVZFEHB-HLIPFELVSA-N
XLogP6.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.58
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(5S,7R,7aR)-3,7-dimethyl-5-(2-methylcyclopenten-1-yl)-1,2,4,6,7,7a-hexahydroinden-5-yl]oxy-trimethylsilane 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 [(5S,7R,7aR)-3,7-dimethyl-5-(2-methylcyclopenten-1-yl)-1,2,4,6,7,7a-hexahydroinden-5-yl]oxy-trimethylsilane?
The IUPAC name of [(5S,7R,7aR)-3,7-dimethyl-5-(2-methylcyclopenten-1-yl)-1,2,4,6,7,7a-hexahydroinden-5-yl]oxy-trimethylsilane (CID 10591679) is [(5S,7R,7aR)-3,7-dimethyl-5-(2-methylcyclopenten-1-yl)-1,2,4,6,7,7a-hexahydroinden-5-yl]oxy-trimethylsilane.
What is the SMILES notation for [(5S,7R,7aR)-3,7-dimethyl-5-(2-methylcyclopenten-1-yl)-1,2,4,6,7,7a-hexahydroinden-5-yl]oxy-trimethylsilane?
The canonical SMILES for [(5S,7R,7aR)-3,7-dimethyl-5-(2-methylcyclopenten-1-yl)-1,2,4,6,7,7a-hexahydroinden-5-yl]oxy-trimethylsilane is CC1=C2C[C@](O[Si](C)(C)C)(C3=C(C)CCC3)C[C@@H](C)[C@H]2CC1.
What is the InChIKey of [(5S,7R,7aR)-3,7-dimethyl-5-(2-methylcyclopenten-1-yl)-1,2,4,6,7,7a-hexahydroinden-5-yl]oxy-trimethylsilane?
The InChIKey is BRBKOBLMVZFEHB-HLIPFELVSA-N. The full InChI is InChI=1S/C20H34OSi/c1-14-10-11-17-16(3)12-20(13-18(14)17,21-22(4,5)6)19-9-7-8-15(19)2/h16-17H,7-13H2,1-6H3/t16-,17-,20+/m1/s1.
What are the key properties of [(5S,7R,7aR)-3,7-dimethyl-5-(2-methylcyclopenten-1-yl)-1,2,4,6,7,7a-hexahydroinden-5-yl]oxy-trimethylsilane?
[(5S,7R,7aR)-3,7-dimethyl-5-(2-methylcyclopenten-1-yl)-1,2,4,6,7,7a-hexahydroinden-5-yl]oxy-trimethylsilane has a molecular weight of 318.58 g/mol, XLogP of 6.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S,7R,7aR)-3,7-dimethyl-5-(2-methylcyclopenten-1-yl)-1,2,4,6,7,7a-hexahydroinden-5-yl]oxy-trimethylsilane is sourced from PubChem (CID 10591679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).