heptoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane

C26H40O3Si — CID 91732783

IUPACheptoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane
SMILESCCCCCCCO[Si](OCCC(C)CCOC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H40O3Si/c1-4-5-6-7-14-21-28-30(25-15-10-8-11-16-25,26-17-12-9-13-18-26)29-23-20-24(2)19-22-27-3/h8-13,15-18,24H,4-7,14,19-23H2,1-3H3
InChIKeyFRDOKFYLTYGVTK-UHFFFAOYSA-N
MW428.69 g/mol
LogP5.31
Rot. Bonds16

About heptoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane

heptoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane (PubChem CID 91732783) has the molecular formula C26H40O3Si and a molecular weight of 428.69 g/mol. Its IUPAC name is heptoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane.

Molecular Properties

Compound Nameheptoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane
PubChem CID91732783
Molecular FormulaC26H40O3Si
Molecular Weight428.69 g/mol
Exact Mass428.27
IUPAC Nameheptoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane
SMILESCCCCCCCO[Si](OCCC(C)CCOC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H40O3Si/c1-4-5-6-7-14-21-28-30(25-15-10-8-11-16-25,26-17-12-9-13-18-26)29-23-20-24(2)19-22-27-3/h8-13,15-18,24H,4-7,14,19-23H2,1-3H3
InChIKeyFRDOKFYLTYGVTK-UHFFFAOYSA-N
XLogP5.31
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.69
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-cycloheptyloxy-diphenylsilane
CID 90682026
tert-Butyl(hexyloxy)diphenylsilane
CID 11338517
9-[Tert-butyl(diphenyl)silyl]oxynonan-1-ol
CID 14940128
Silane, diphenyl(2-fluoroethoxy)octyloxy-
CID 91717507
Silane, diphenyl(2-fluoroethoxy)nonyloxy-
CID 91717508
Silane, diphenyl(2-fluoroethoxy)isohexyloxy-
CID 91717509
Silane, diphenyldecyloxy(2-fluoroethoxy)-
CID 91717512
Silane, diphenyldodecyloxy(2-fluoroethoxy)-
CID 91717513
Silane, diphenyl(2-fluoroethoxy)tridecyloxy-
CID 91717514
Silane, diphenyl(2-fluoroethoxy)heptyloxy-
CID 91717516
Silane, diphenyl(2-fluoroethoxy)pentadecyloxy-
CID 91717517
Silane, diphenyl(2-fluoroethoxy)hexadecyloxy-
CID 91717518

Frequently Asked Questions

What is the IUPAC name of heptoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane?
The IUPAC name of heptoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane (CID 91732783) is heptoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane.
What is the SMILES notation for heptoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane?
The canonical SMILES for heptoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane is CCCCCCCO[Si](OCCC(C)CCOC)(c1ccccc1)c1ccccc1.
What is the InChIKey of heptoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane?
The InChIKey is FRDOKFYLTYGVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O3Si/c1-4-5-6-7-14-21-28-30(25-15-10-8-11-16-25,26-17-12-9-13-18-26)29-23-20-24(2)19-22-27-3/h8-13,15-18,24H,4-7,14,19-23H2,1-3H3.
What are the key properties of heptoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane?
heptoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane has a molecular weight of 428.69 g/mol, XLogP of 5.31, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for heptoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane is sourced from PubChem (CID 91732783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).