tert-butyl-[1-[(3S,6R)-6-ethenyl-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]ethenoxy]-dimethylsilane

C20H34OSi — CID 138964348

About tert-butyl-[1-[(3S,6R)-6-ethenyl-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]ethenoxy]-dimethylsilane

tert-butyl-[1-[(3S,6R)-6-ethenyl-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]ethenoxy]-dimethylsilane (PubChem CID 138964348) has the molecular formula C20H34OSi and a molecular weight of 318.58 g/mol. Its IUPAC name is tert-butyl-[1-[(3S,6R)-6-ethenyl-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]ethenoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[1-[(3S,6R)-6-ethenyl-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]ethenoxy]-dimethylsilane
• PubChem CID: 138964348
• Molecular Formula: C20H34OSi
• Molecular Weight: 318.58 g/mol
• Exact Mass: 318.24
• IUPAC Name: tert-butyl-[1-[(3S,6R)-6-ethenyl-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]ethenoxy]-dimethylsilane
• SMILES: C=C[C@@]1(C)CC[C@H](C(=C)C)C=C1C(=C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C20H34OSi/c1-11-20(8)13-12-17(15(2)3)14-18(20)16(4)21-22(9,10)19(5,6)7/h11,14,17H,1-2,4,12-13H2,3,5-10H3/t17-,20-/m0/s1
• InChIKey: GUNBKSVEDYUGEA-PXNSSMCTSA-N
• XLogP: 6.63
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	318.58
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[(3S,6R)-6-ethenyl-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]ethenoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[1-[(3S,6R)-6-ethenyl-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]ethenoxy]-dimethylsilane (CID 138964348) is tert-butyl-[1-[(3S,6R)-6-ethenyl-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]ethenoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[1-[(3S,6R)-6-ethenyl-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]ethenoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[1-[(3S,6R)-6-ethenyl-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]ethenoxy]-dimethylsilane is C=C[C@@]1(C)CC[C@H](C(=C)C)C=C1C(=C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[1-[(3S,6R)-6-ethenyl-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]ethenoxy]-dimethylsilane?

The InChIKey is GUNBKSVEDYUGEA-PXNSSMCTSA-N. The full InChI is InChI=1S/C20H34OSi/c1-11-20(8)13-12-17(15(2)3)14-18(20)16(4)21-22(9,10)19(5,6)7/h11,14,17H,1-2,4,12-13H2,3,5-10H3/t17-,20-/m0/s1.

What are the key properties of tert-butyl-[1-[(3S,6R)-6-ethenyl-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]ethenoxy]-dimethylsilane?

tert-butyl-[1-[(3S,6R)-6-ethenyl-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]ethenoxy]-dimethylsilane has a molecular weight of 318.58 g/mol, XLogP of 6.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[1-[(3S,6R)-6-ethenyl-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]ethenoxy]-dimethylsilane is sourced from PubChem (CID 138964348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).