tert-butyl-[(1R,3S,5E)-5-ethylidene-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidenecyclohexyl]oxy-dimethylsilane

C21H42O2Si2 — CID 89418844

About tert-butyl-[(1R,3S,5E)-5-ethylidene-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidenecyclohexyl]oxy-dimethylsilane

tert-butyl-[(1R,3S,5E)-5-ethylidene-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidenecyclohexyl]oxy-dimethylsilane (PubChem CID 89418844) has the molecular formula C21H42O2Si2 and a molecular weight of 382.74 g/mol. Its IUPAC name is tert-butyl-[(1R,3S,5E)-5-ethylidene-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidenecyclohexyl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(1R,3S,5E)-5-ethylidene-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidenecyclohexyl]oxy-dimethylsilane
• PubChem CID: 89418844
• Molecular Formula: C21H42O2Si2
• Molecular Weight: 382.74 g/mol
• Exact Mass: 382.27
• IUPAC Name: tert-butyl-[(1R,3S,5E)-5-ethylidene-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidenecyclohexyl]oxy-dimethylsilane
• SMILES: C=C1[C@H](CC(C)(C)[Si](C)(C)O)C/C(=C\C)C[C@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C21H42O2Si2/c1-12-17-13-18(15-21(6,7)24(8,9)22)16(2)19(14-17)23-25(10,11)20(3,4)5/h12,18-19,22H,2,13-15H2,1,3-11H3/b17-12+/t18-,19+/m0/s1
• InChIKey: SVYHZIOJBBYNPR-FNABCDGWSA-N
• XLogP: 6.66
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	382.74
LogP ≤ 5	6.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

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 tert-butyl-[(1R,3S,5E)-5-ethylidene-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidenecyclohexyl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(1R,3S,5E)-5-ethylidene-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidenecyclohexyl]oxy-dimethylsilane (CID 89418844) is tert-butyl-[(1R,3S,5E)-5-ethylidene-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidenecyclohexyl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(1R,3S,5E)-5-ethylidene-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidenecyclohexyl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(1R,3S,5E)-5-ethylidene-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidenecyclohexyl]oxy-dimethylsilane is C=C1[C@H](CC(C)(C)[Si](C)(C)O)C/C(=C\C)C[C@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[(1R,3S,5E)-5-ethylidene-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidenecyclohexyl]oxy-dimethylsilane?

The InChIKey is SVYHZIOJBBYNPR-FNABCDGWSA-N. The full InChI is InChI=1S/C21H42O2Si2/c1-12-17-13-18(15-21(6,7)24(8,9)22)16(2)19(14-17)23-25(10,11)20(3,4)5/h12,18-19,22H,2,13-15H2,1,3-11H3/b17-12+/t18-,19+/m0/s1.

What are the key properties of tert-butyl-[(1R,3S,5E)-5-ethylidene-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidenecyclohexyl]oxy-dimethylsilane?

tert-butyl-[(1R,3S,5E)-5-ethylidene-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidenecyclohexyl]oxy-dimethylsilane has a molecular weight of 382.74 g/mol, XLogP of 6.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(1R,3S,5E)-5-ethylidene-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidenecyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 89418844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).