tri(propan-2-yl)-[(2E,6E,10E)-2,6,10-trimethyl-12-phenyldodeca-2,6,10-trienoxy]silane

C30H50OSi — CID 89432026

IUPACtri(propan-2-yl)-[(2E,6E,10E)-2,6,10-trimethyl-12-phenyldodeca-2,6,10-trienoxy]silane
SMILESC/C(=C\CC/C(C)=C/Cc1ccccc1)CC/C=C(\C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C30H50OSi/c1-24(2)32(25(3)4,26(5)6)31-23-29(9)18-14-16-27(7)15-13-17-28(8)21-22-30-19-11-10-12-20-30/h10-12,15,18-21,24-26H,13-14,16-17,22-23H2,1-9H3/b27-15+,28-21+,29-18+
InChIKeyBNURPVDYIOSXOK-AMCVUYPJSA-N
MW454.82 g/mol
LogP9.82
Rot. Bonds14

About tri(propan-2-yl)-[(2E,6E,10E)-2,6,10-trimethyl-12-phenyldodeca-2,6,10-trienoxy]silane

tri(propan-2-yl)-[(2E,6E,10E)-2,6,10-trimethyl-12-phenyldodeca-2,6,10-trienoxy]silane (PubChem CID 89432026) has the molecular formula C30H50OSi and a molecular weight of 454.82 g/mol. Its IUPAC name is tri(propan-2-yl)-[(2E,6E,10E)-2,6,10-trimethyl-12-phenyldodeca-2,6,10-trienoxy]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[(2E,6E,10E)-2,6,10-trimethyl-12-phenyldodeca-2,6,10-trienoxy]silane
PubChem CID89432026
Molecular FormulaC30H50OSi
Molecular Weight454.82 g/mol
Exact Mass454.36
IUPAC Nametri(propan-2-yl)-[(2E,6E,10E)-2,6,10-trimethyl-12-phenyldodeca-2,6,10-trienoxy]silane
SMILESC/C(=C\CC/C(C)=C/Cc1ccccc1)CC/C=C(\C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C30H50OSi/c1-24(2)32(25(3)4,26(5)6)31-23-29(9)18-14-16-27(7)15-13-17-28(8)21-22-30-19-11-10-12-20-30/h10-12,15,18-21,24-26H,13-14,16-17,22-23H2,1-9H3/b27-15+,28-21+,29-18+
InChIKeyBNURPVDYIOSXOK-AMCVUYPJSA-N
XLogP9.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.82
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tri(propan-2-yl)-[(2E,6E,10E)-2,6,10-trimethyl-12-phenyldodeca-2,6,10-trienoxy]silane with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[(2E,6E,10E)-2,6,10-trimethyl-12-phenyldodeca-2,6,10-trienoxy]silane?
The IUPAC name of tri(propan-2-yl)-[(2E,6E,10E)-2,6,10-trimethyl-12-phenyldodeca-2,6,10-trienoxy]silane (CID 89432026) is tri(propan-2-yl)-[(2E,6E,10E)-2,6,10-trimethyl-12-phenyldodeca-2,6,10-trienoxy]silane.
What is the SMILES notation for tri(propan-2-yl)-[(2E,6E,10E)-2,6,10-trimethyl-12-phenyldodeca-2,6,10-trienoxy]silane?
The canonical SMILES for tri(propan-2-yl)-[(2E,6E,10E)-2,6,10-trimethyl-12-phenyldodeca-2,6,10-trienoxy]silane is C/C(=C\CC/C(C)=C/Cc1ccccc1)CC/C=C(\C)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[(2E,6E,10E)-2,6,10-trimethyl-12-phenyldodeca-2,6,10-trienoxy]silane?
The InChIKey is BNURPVDYIOSXOK-AMCVUYPJSA-N. The full InChI is InChI=1S/C30H50OSi/c1-24(2)32(25(3)4,26(5)6)31-23-29(9)18-14-16-27(7)15-13-17-28(8)21-22-30-19-11-10-12-20-30/h10-12,15,18-21,24-26H,13-14,16-17,22-23H2,1-9H3/b27-15+,28-21+,29-18+.
What are the key properties of tri(propan-2-yl)-[(2E,6E,10E)-2,6,10-trimethyl-12-phenyldodeca-2,6,10-trienoxy]silane?
tri(propan-2-yl)-[(2E,6E,10E)-2,6,10-trimethyl-12-phenyldodeca-2,6,10-trienoxy]silane has a molecular weight of 454.82 g/mol, XLogP of 9.82, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[(2E,6E,10E)-2,6,10-trimethyl-12-phenyldodeca-2,6,10-trienoxy]silane is sourced from PubChem (CID 89432026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).