[3-[2-[(7aR)-7a-methyl-1-[6-methyl-6-(oxan-2-yloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane

C44H80O4Si2 — CID 146158043

About [3-[2-[(7aR)-7a-methyl-1-[6-methyl-6-(oxan-2-yloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane

[3-[2-[(7aR)-7a-methyl-1-[6-methyl-6-(oxan-2-yloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane (PubChem CID 146158043) has the molecular formula C44H80O4Si2 and a molecular weight of 729.29 g/mol. Its IUPAC name is [3-[2-[(7aR)-7a-methyl-1-[6-methyl-6-(oxan-2-yloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [3-[2-[(7aR)-7a-methyl-1-[6-methyl-6-(oxan-2-yloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 146158043
• Molecular Formula: C44H80O4Si2
• Molecular Weight: 729.29 g/mol
• Exact Mass: 728.56
• IUPAC Name: [3-[2-[(7aR)-7a-methyl-1-[6-methyl-6-(oxan-2-yloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
• SMILES: C=C1C(=CC=C2CCC[C@@]3(C)C2CCC3C(C)CCCC(C)(C)OC2CCCCO2)CC(O[Si](C)(C)C(C)(C)C)CC1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C44H80O4Si2/c1-32(20-18-27-43(9,10)46-40-22-16-17-29-45-40)37-25-26-38-34(21-19-28-44(37,38)11)23-24-35-30-36(47-49(12,13)41(3,4)5)31-39(33(35)2)48-50(14,15)42(6,7)8/h23-24,32,36-40H,2,16-22,25-31H2,1,3-15H3/t32?,36?,37?,38?,39?,40?,44-/m1/s1
• InChIKey: VAQLZJZVGRUENW-RVEGLGGHSA-N
• XLogP: 13.31
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	729.29
LogP ≤ 5	13.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[2-[(7aR)-7a-methyl-1-[6-methyl-6-(oxan-2-yloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [3-[2-[(7aR)-7a-methyl-1-[6-methyl-6-(oxan-2-yloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane (CID 146158043) is [3-[2-[(7aR)-7a-methyl-1-[6-methyl-6-(oxan-2-yloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [3-[2-[(7aR)-7a-methyl-1-[6-methyl-6-(oxan-2-yloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [3-[2-[(7aR)-7a-methyl-1-[6-methyl-6-(oxan-2-yloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane is C=C1C(=CC=C2CCC[C@@]3(C)C2CCC3C(C)CCCC(C)(C)OC2CCCCO2)CC(O[Si](C)(C)C(C)(C)C)CC1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [3-[2-[(7aR)-7a-methyl-1-[6-methyl-6-(oxan-2-yloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane?

The InChIKey is VAQLZJZVGRUENW-RVEGLGGHSA-N. The full InChI is InChI=1S/C44H80O4Si2/c1-32(20-18-27-43(9,10)46-40-22-16-17-29-45-40)37-25-26-38-34(21-19-28-44(37,38)11)23-24-35-30-36(47-49(12,13)41(3,4)5)31-39(33(35)2)48-50(14,15)42(6,7)8/h23-24,32,36-40H,2,16-22,25-31H2,1,3-15H3/t32?,36?,37?,38?,39?,40?,44-/m1/s1.

What are the key properties of [3-[2-[(7aR)-7a-methyl-1-[6-methyl-6-(oxan-2-yloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane?

[3-[2-[(7aR)-7a-methyl-1-[6-methyl-6-(oxan-2-yloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 729.29 g/mol, XLogP of 13.31, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2-[(7aR)-7a-methyl-1-[6-methyl-6-(oxan-2-yloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 146158043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).