[(2E)-3,7-dimethyl-2-[1-tri(propan-2-yl)silyloxyethenyl]octa-2,6-dienoxy]-tri(propan-2-yl)silane

C30H60O2Si2 — CID 11168137

About [(2E)-3,7-dimethyl-2-[1-tri(propan-2-yl)silyloxyethenyl]octa-2,6-dienoxy]-tri(propan-2-yl)silane

[(2E)-3,7-dimethyl-2-[1-tri(propan-2-yl)silyloxyethenyl]octa-2,6-dienoxy]-tri(propan-2-yl)silane (PubChem CID 11168137) has the molecular formula C30H60O2Si2 and a molecular weight of 508.98 g/mol. Its IUPAC name is [(2E)-3,7-dimethyl-2-[1-tri(propan-2-yl)silyloxyethenyl]octa-2,6-dienoxy]-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: [(2E)-3,7-dimethyl-2-[1-tri(propan-2-yl)silyloxyethenyl]octa-2,6-dienoxy]-tri(propan-2-yl)silane
• PubChem CID: 11168137
• Molecular Formula: C30H60O2Si2
• Molecular Weight: 508.98 g/mol
• Exact Mass: 508.41
• IUPAC Name: [(2E)-3,7-dimethyl-2-[1-tri(propan-2-yl)silyloxyethenyl]octa-2,6-dienoxy]-tri(propan-2-yl)silane
• SMILES: C=C(O[Si](C(C)C)(C(C)C)C(C)C)/C(CO[Si](C(C)C)(C(C)C)C(C)C)=C(\C)CCC=C(C)C
• InChI: InChI=1S/C30H60O2Si2/c1-21(2)18-17-19-28(15)30(20-31-33(22(3)4,23(5)6)24(7)8)29(16)32-34(25(9)10,26(11)12)27(13)14/h18,22-27H,16-17,19-20H2,1-15H3/b30-28+
• InChIKey: NPDMARBPORPNOW-SJCQXOIGSA-N
• XLogP: 10.95
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 15
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.98
LogP ≤ 5	10.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2E)-3,7-dimethyl-2-[1-tri(propan-2-yl)silyloxyethenyl]octa-2,6-dienoxy]-tri(propan-2-yl)silane?

The IUPAC name of [(2E)-3,7-dimethyl-2-[1-tri(propan-2-yl)silyloxyethenyl]octa-2,6-dienoxy]-tri(propan-2-yl)silane (CID 11168137) is [(2E)-3,7-dimethyl-2-[1-tri(propan-2-yl)silyloxyethenyl]octa-2,6-dienoxy]-tri(propan-2-yl)silane.

What is the SMILES notation for [(2E)-3,7-dimethyl-2-[1-tri(propan-2-yl)silyloxyethenyl]octa-2,6-dienoxy]-tri(propan-2-yl)silane?

The canonical SMILES for [(2E)-3,7-dimethyl-2-[1-tri(propan-2-yl)silyloxyethenyl]octa-2,6-dienoxy]-tri(propan-2-yl)silane is C=C(O[Si](C(C)C)(C(C)C)C(C)C)/C(CO[Si](C(C)C)(C(C)C)C(C)C)=C(\C)CCC=C(C)C.

What is the InChIKey of [(2E)-3,7-dimethyl-2-[1-tri(propan-2-yl)silyloxyethenyl]octa-2,6-dienoxy]-tri(propan-2-yl)silane?

The InChIKey is NPDMARBPORPNOW-SJCQXOIGSA-N. The full InChI is InChI=1S/C30H60O2Si2/c1-21(2)18-17-19-28(15)30(20-31-33(22(3)4,23(5)6)24(7)8)29(16)32-34(25(9)10,26(11)12)27(13)14/h18,22-27H,16-17,19-20H2,1-15H3/b30-28+.

What are the key properties of [(2E)-3,7-dimethyl-2-[1-tri(propan-2-yl)silyloxyethenyl]octa-2,6-dienoxy]-tri(propan-2-yl)silane?

[(2E)-3,7-dimethyl-2-[1-tri(propan-2-yl)silyloxyethenyl]octa-2,6-dienoxy]-tri(propan-2-yl)silane has a molecular weight of 508.98 g/mol, XLogP of 10.95, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(2E)-3,7-dimethyl-2-[1-tri(propan-2-yl)silyloxyethenyl]octa-2,6-dienoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 11168137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).