heptan-2-yloxy-(4-methylpentoxy)-diphenylsilane

C25H38O2Si — CID 91740887

IUPACheptan-2-yloxy-(4-methylpentoxy)-diphenylsilane
SMILESCCCCCC(C)O[Si](OCCCC(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H38O2Si/c1-5-6-9-16-23(4)27-28(24-17-10-7-11-18-24,25-19-12-8-13-20-25)26-21-14-15-22(2)3/h7-8,10-13,17-20,22-23H,5-6,9,14-16,21H2,1-4H3
InChIKeyCUGGSVSDDJMKPL-UHFFFAOYSA-N
MW398.66 g/mol
LogP5.68
Rot. Bonds13

About heptan-2-yloxy-(4-methylpentoxy)-diphenylsilane

heptan-2-yloxy-(4-methylpentoxy)-diphenylsilane (PubChem CID 91740887) has the molecular formula C25H38O2Si and a molecular weight of 398.66 g/mol. Its IUPAC name is heptan-2-yloxy-(4-methylpentoxy)-diphenylsilane.

Molecular Properties

Compound Nameheptan-2-yloxy-(4-methylpentoxy)-diphenylsilane
PubChem CID91740887
Molecular FormulaC25H38O2Si
Molecular Weight398.66 g/mol
Exact Mass398.26
IUPAC Nameheptan-2-yloxy-(4-methylpentoxy)-diphenylsilane
SMILESCCCCCC(C)O[Si](OCCCC(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H38O2Si/c1-5-6-9-16-23(4)27-28(24-17-10-7-11-18-24,25-19-12-8-13-20-25)26-21-14-15-22(2)3/h7-8,10-13,17-20,22-23H,5-6,9,14-16,21H2,1-4H3
InChIKeyCUGGSVSDDJMKPL-UHFFFAOYSA-N
XLogP5.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.66
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-diphenyl-[2-(5-prop-2-enyldioxolan-3-yl)ethoxy]silane
CID 164625594
Tert-butyl-cyclohexyloxy-diphenylsilane
CID 12619131
Tert-butyl-cyclopentyloxy-diphenylsilane
CID 85767200
Tert-butyl-cycloheptyloxy-diphenylsilane
CID 90682026
6-((tert-Butyldiphenylsilyl)oxy)hexan-1-ol
CID 11013734
tert-Butyl(hexyloxy)diphenylsilane
CID 11338517
Dibutoxy(diphenyl)silane
CID 13637536
Cyclohexyl dimethylphenylsilyl ether
CID 11770411
6-[Tert-butyl(diphenyl)silyl]oxyhexan-2-ol
CID 11783240
Tert-butyl(cyclopent-2-en-1-yloxy)diphenylsilane
CID 12742150
9-[Tert-butyl(diphenyl)silyl]oxynonan-1-ol
CID 14940128
tert-butyl-[(2R)-hept-6-en-2-yl]oxy-diphenylsilane
CID 44178593

Frequently Asked Questions

What is the IUPAC name of heptan-2-yloxy-(4-methylpentoxy)-diphenylsilane?
The IUPAC name of heptan-2-yloxy-(4-methylpentoxy)-diphenylsilane (CID 91740887) is heptan-2-yloxy-(4-methylpentoxy)-diphenylsilane.
What is the SMILES notation for heptan-2-yloxy-(4-methylpentoxy)-diphenylsilane?
The canonical SMILES for heptan-2-yloxy-(4-methylpentoxy)-diphenylsilane is CCCCCC(C)O[Si](OCCCC(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of heptan-2-yloxy-(4-methylpentoxy)-diphenylsilane?
The InChIKey is CUGGSVSDDJMKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38O2Si/c1-5-6-9-16-23(4)27-28(24-17-10-7-11-18-24,25-19-12-8-13-20-25)26-21-14-15-22(2)3/h7-8,10-13,17-20,22-23H,5-6,9,14-16,21H2,1-4H3.
What are the key properties of heptan-2-yloxy-(4-methylpentoxy)-diphenylsilane?
heptan-2-yloxy-(4-methylpentoxy)-diphenylsilane has a molecular weight of 398.66 g/mol, XLogP of 5.68, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-2-yloxy-(4-methylpentoxy)-diphenylsilane is sourced from PubChem (CID 91740887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).