[(7E,11E)-4-(methoxymethoxy)-4,8,12-trimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-ynoxy]-tri(propan-2-yl)silane

C32H58O5Si — CID 10415169

About [(7E,11E)-4-(methoxymethoxy)-4,8,12-trimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-ynoxy]-tri(propan-2-yl)silane

[(7E,11E)-4-(methoxymethoxy)-4,8,12-trimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-ynoxy]-tri(propan-2-yl)silane (PubChem CID 10415169) has the molecular formula C32H58O5Si and a molecular weight of 550.90 g/mol. Its IUPAC name is [(7E,11E)-4-(methoxymethoxy)-4,8,12-trimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-ynoxy]-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: [(7E,11E)-4-(methoxymethoxy)-4,8,12-trimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-ynoxy]-tri(propan-2-yl)silane
• PubChem CID: 10415169
• Molecular Formula: C32H58O5Si
• Molecular Weight: 550.90 g/mol
• Exact Mass: 550.41
• IUPAC Name: [(7E,11E)-4-(methoxymethoxy)-4,8,12-trimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-ynoxy]-tri(propan-2-yl)silane
• SMILES: COCOC(C)(C#CCO[Si](C(C)C)(C(C)C)C(C)C)CC/C=C(\C)CC/C=C(\C)COC1CCCCO1
• InChI: InChI=1S/C32H58O5Si/c1-26(2)38(27(3)4,28(5)6)37-23-15-21-32(9,36-25-33-10)20-14-18-29(7)16-13-17-30(8)24-35-31-19-11-12-22-34-31/h17-18,26-28,31H,11-14,16,19-20,22-25H2,1-10H3/b29-18+,30-17+
• InChIKey: AOTZCMAGXWHCKE-PEWMYGTDSA-N
• XLogP: 8.56
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 17
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.90
LogP ≤ 5	8.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(7E,11E)-4-(methoxymethoxy)-4,8,12-trimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-ynoxy]-tri(propan-2-yl)silane?

The IUPAC name of [(7E,11E)-4-(methoxymethoxy)-4,8,12-trimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-ynoxy]-tri(propan-2-yl)silane (CID 10415169) is [(7E,11E)-4-(methoxymethoxy)-4,8,12-trimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-ynoxy]-tri(propan-2-yl)silane.

What is the SMILES notation for [(7E,11E)-4-(methoxymethoxy)-4,8,12-trimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-ynoxy]-tri(propan-2-yl)silane?

The canonical SMILES for [(7E,11E)-4-(methoxymethoxy)-4,8,12-trimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-ynoxy]-tri(propan-2-yl)silane is COCOC(C)(C#CCO[Si](C(C)C)(C(C)C)C(C)C)CC/C=C(\C)CC/C=C(\C)COC1CCCCO1.

What is the InChIKey of [(7E,11E)-4-(methoxymethoxy)-4,8,12-trimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-ynoxy]-tri(propan-2-yl)silane?

The InChIKey is AOTZCMAGXWHCKE-PEWMYGTDSA-N. The full InChI is InChI=1S/C32H58O5Si/c1-26(2)38(27(3)4,28(5)6)37-23-15-21-32(9,36-25-33-10)20-14-18-29(7)16-13-17-30(8)24-35-31-19-11-12-22-34-31/h17-18,26-28,31H,11-14,16,19-20,22-25H2,1-10H3/b29-18+,30-17+.

What are the key properties of [(7E,11E)-4-(methoxymethoxy)-4,8,12-trimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-ynoxy]-tri(propan-2-yl)silane?

[(7E,11E)-4-(methoxymethoxy)-4,8,12-trimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-ynoxy]-tri(propan-2-yl)silane has a molecular weight of 550.90 g/mol, XLogP of 8.56, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(7E,11E)-4-(methoxymethoxy)-4,8,12-trimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-ynoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 10415169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).