trimethyl-[2-methyl-4-[(1R,2R,3R)-1-methyl-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]butan-2-yl]oxysilane

C26H54O2Si2 — CID 135020039

About trimethyl-[2-methyl-4-[(1R,2R,3R)-1-methyl-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]butan-2-yl]oxysilane

trimethyl-[2-methyl-4-[(1R,2R,3R)-1-methyl-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]butan-2-yl]oxysilane (PubChem CID 135020039) has the molecular formula C26H54O2Si2 and a molecular weight of 454.89 g/mol. Its IUPAC name is trimethyl-[2-methyl-4-[(1R,2R,3R)-1-methyl-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]butan-2-yl]oxysilane.

Molecular Properties

• Compound Name: trimethyl-[2-methyl-4-[(1R,2R,3R)-1-methyl-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]butan-2-yl]oxysilane
• PubChem CID: 135020039
• Molecular Formula: C26H54O2Si2
• Molecular Weight: 454.89 g/mol
• Exact Mass: 454.37
• IUPAC Name: trimethyl-[2-methyl-4-[(1R,2R,3R)-1-methyl-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]butan-2-yl]oxysilane
• SMILES: C=C(C)[C@H]1CC[C@](C)(CCC(C)(C)O[Si](C)(C)C)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C26H54O2Si2/c1-19(2)23-15-16-26(11,18-17-25(9,10)28-29(12,13)14)24(23)27-30(20(3)4,21(5)6)22(7)8/h20-24H,1,15-18H2,2-14H3/t23-,24-,26-/m1/s1
• InChIKey: ZBHIDODNZUUSDH-DGWZTRNLSA-N
• XLogP: 8.95
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.89
LogP ≤ 5	8.95
H-Bond Donors ≤ 5	0
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 trimethyl-[2-methyl-4-[(1R,2R,3R)-1-methyl-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]butan-2-yl]oxysilane?

The IUPAC name of trimethyl-[2-methyl-4-[(1R,2R,3R)-1-methyl-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]butan-2-yl]oxysilane (CID 135020039) is trimethyl-[2-methyl-4-[(1R,2R,3R)-1-methyl-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]butan-2-yl]oxysilane.

What is the SMILES notation for trimethyl-[2-methyl-4-[(1R,2R,3R)-1-methyl-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]butan-2-yl]oxysilane?

The canonical SMILES for trimethyl-[2-methyl-4-[(1R,2R,3R)-1-methyl-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]butan-2-yl]oxysilane is C=C(C)[C@H]1CC[C@](C)(CCC(C)(C)O[Si](C)(C)C)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of trimethyl-[2-methyl-4-[(1R,2R,3R)-1-methyl-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]butan-2-yl]oxysilane?

The InChIKey is ZBHIDODNZUUSDH-DGWZTRNLSA-N. The full InChI is InChI=1S/C26H54O2Si2/c1-19(2)23-15-16-26(11,18-17-25(9,10)28-29(12,13)14)24(23)27-30(20(3)4,21(5)6)22(7)8/h20-24H,1,15-18H2,2-14H3/t23-,24-,26-/m1/s1.

What are the key properties of trimethyl-[2-methyl-4-[(1R,2R,3R)-1-methyl-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]butan-2-yl]oxysilane?

trimethyl-[2-methyl-4-[(1R,2R,3R)-1-methyl-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]butan-2-yl]oxysilane has a molecular weight of 454.89 g/mol, XLogP of 8.95, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[2-methyl-4-[(1R,2R,3R)-1-methyl-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]butan-2-yl]oxysilane is sourced from PubChem (CID 135020039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).