[3-[3-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]propylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane

C34H60OSi — CID 142680846

About [3-[3-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]propylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane

[3-[3-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]propylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane (PubChem CID 142680846) has the molecular formula C34H60OSi and a molecular weight of 512.94 g/mol. Its IUPAC name is [3-[3-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]propylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [3-[3-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]propylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 142680846
• Molecular Formula: C34H60OSi
• Molecular Weight: 512.94 g/mol
• Exact Mass: 512.44
• IUPAC Name: [3-[3-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]propylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
• SMILES: C=C1CCC(O[Si](C)(C)C(C)(C)C)CC1=CCC=C1CCCC2(C)C1CCC2C(C)CCCC(C)C
• InChI: InChI=1S/C34H60OSi/c1-25(2)14-11-15-27(4)31-21-22-32-28(18-13-23-34(31,32)8)16-12-17-29-24-30(20-19-26(29)3)35-36(9,10)33(5,6)7/h16-17,25,27,30-32H,3,11-15,18-24H2,1-2,4-10H3
• InChIKey: MCAYUDDFVCDIDX-UHFFFAOYSA-N
• XLogP: 11.04
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.94
LogP ≤ 5	11.04
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 [3-[3-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]propylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [3-[3-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]propylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane (CID 142680846) is [3-[3-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]propylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [3-[3-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]propylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [3-[3-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]propylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane is C=C1CCC(O[Si](C)(C)C(C)(C)C)CC1=CCC=C1CCCC2(C)C1CCC2C(C)CCCC(C)C.

What is the InChIKey of [3-[3-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]propylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane?

The InChIKey is MCAYUDDFVCDIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H60OSi/c1-25(2)14-11-15-27(4)31-21-22-32-28(18-13-23-34(31,32)8)16-12-17-29-24-30(20-19-26(29)3)35-36(9,10)33(5,6)7/h16-17,25,27,30-32H,3,11-15,18-24H2,1-2,4-10H3.

What are the key properties of [3-[3-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]propylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane?

[3-[3-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]propylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 512.94 g/mol, XLogP of 11.04, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]propylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 142680846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).