[(S)-(6-ethenyl-6-methylcyclohexen-1-yl)-(5-ethenyl-4,6,6-trimethylcyclohexa-1,4-dien-1-yl)methoxy]-trimethylsilane

C24H38OSi — CID 101025341

About [(S)-(6-ethenyl-6-methylcyclohexen-1-yl)-(5-ethenyl-4,6,6-trimethylcyclohexa-1,4-dien-1-yl)methoxy]-trimethylsilane

[(S)-(6-ethenyl-6-methylcyclohexen-1-yl)-(5-ethenyl-4,6,6-trimethylcyclohexa-1,4-dien-1-yl)methoxy]-trimethylsilane (PubChem CID 101025341) has the molecular formula C24H38OSi and a molecular weight of 370.65 g/mol. Its IUPAC name is [(S)-(6-ethenyl-6-methylcyclohexen-1-yl)-(5-ethenyl-4,6,6-trimethylcyclohexa-1,4-dien-1-yl)methoxy]-trimethylsilane.

Molecular Properties

• Compound Name: [(S)-(6-ethenyl-6-methylcyclohexen-1-yl)-(5-ethenyl-4,6,6-trimethylcyclohexa-1,4-dien-1-yl)methoxy]-trimethylsilane
• PubChem CID: 101025341
• Molecular Formula: C24H38OSi
• Molecular Weight: 370.65 g/mol
• Exact Mass: 370.27
• IUPAC Name: [(S)-(6-ethenyl-6-methylcyclohexen-1-yl)-(5-ethenyl-4,6,6-trimethylcyclohexa-1,4-dien-1-yl)methoxy]-trimethylsilane
• SMILES: C=CC1=C(C)CC=C([C@@H](O[Si](C)(C)C)C2=CCCCC2(C)C=C)C1(C)C
• InChI: InChI=1S/C24H38OSi/c1-10-19-18(3)15-16-20(23(19,4)5)22(25-26(7,8)9)21-14-12-13-17-24(21,6)11-2/h10-11,14,16,22H,1-2,12-13,15,17H2,3-9H3/t22-,24?/m1/s1
• InChIKey: SIKGPIKNSXZKKP-LETIRJCYSA-N
• XLogP: 7.37
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	370.65
LogP ≤ 5	7.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(S)-(6-ethenyl-6-methylcyclohexen-1-yl)-(5-ethenyl-4,6,6-trimethylcyclohexa-1,4-dien-1-yl)methoxy]-trimethylsilane?

The IUPAC name of [(S)-(6-ethenyl-6-methylcyclohexen-1-yl)-(5-ethenyl-4,6,6-trimethylcyclohexa-1,4-dien-1-yl)methoxy]-trimethylsilane (CID 101025341) is [(S)-(6-ethenyl-6-methylcyclohexen-1-yl)-(5-ethenyl-4,6,6-trimethylcyclohexa-1,4-dien-1-yl)methoxy]-trimethylsilane.

What is the SMILES notation for [(S)-(6-ethenyl-6-methylcyclohexen-1-yl)-(5-ethenyl-4,6,6-trimethylcyclohexa-1,4-dien-1-yl)methoxy]-trimethylsilane?

The canonical SMILES for [(S)-(6-ethenyl-6-methylcyclohexen-1-yl)-(5-ethenyl-4,6,6-trimethylcyclohexa-1,4-dien-1-yl)methoxy]-trimethylsilane is C=CC1=C(C)CC=C([C@@H](O[Si](C)(C)C)C2=CCCCC2(C)C=C)C1(C)C.

What is the InChIKey of [(S)-(6-ethenyl-6-methylcyclohexen-1-yl)-(5-ethenyl-4,6,6-trimethylcyclohexa-1,4-dien-1-yl)methoxy]-trimethylsilane?

The InChIKey is SIKGPIKNSXZKKP-LETIRJCYSA-N. The full InChI is InChI=1S/C24H38OSi/c1-10-19-18(3)15-16-20(23(19,4)5)22(25-26(7,8)9)21-14-12-13-17-24(21,6)11-2/h10-11,14,16,22H,1-2,12-13,15,17H2,3-9H3/t22-,24?/m1/s1.

What are the key properties of [(S)-(6-ethenyl-6-methylcyclohexen-1-yl)-(5-ethenyl-4,6,6-trimethylcyclohexa-1,4-dien-1-yl)methoxy]-trimethylsilane?

[(S)-(6-ethenyl-6-methylcyclohexen-1-yl)-(5-ethenyl-4,6,6-trimethylcyclohexa-1,4-dien-1-yl)methoxy]-trimethylsilane has a molecular weight of 370.65 g/mol, XLogP of 7.37, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [(S)-(6-ethenyl-6-methylcyclohexen-1-yl)-(5-ethenyl-4,6,6-trimethylcyclohexa-1,4-dien-1-yl)methoxy]-trimethylsilane is sourced from PubChem (CID 101025341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).