2,4-dimethylpentan-3-yloxy-hexoxy-diphenylsilane

C25H38O2Si — CID 91740901

IUPAC2,4-dimethylpentan-3-yloxy-hexoxy-diphenylsilane
SMILESCCCCCCO[Si](OC(C(C)C)C(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H38O2Si/c1-6-7-8-15-20-26-28(23-16-11-9-12-17-23,24-18-13-10-14-19-24)27-25(21(2)3)22(4)5/h9-14,16-19,21-22,25H,6-8,15,20H2,1-5H3
InChIKeyBXGIVAHYENIKCY-UHFFFAOYSA-N
MW398.66 g/mol
LogP5.54
Rot. Bonds12

About 2,4-dimethylpentan-3-yloxy-hexoxy-diphenylsilane

2,4-dimethylpentan-3-yloxy-hexoxy-diphenylsilane (PubChem CID 91740901) has the molecular formula C25H38O2Si and a molecular weight of 398.66 g/mol. Its IUPAC name is 2,4-dimethylpentan-3-yloxy-hexoxy-diphenylsilane.

Molecular Properties

Compound Name2,4-dimethylpentan-3-yloxy-hexoxy-diphenylsilane
PubChem CID91740901
Molecular FormulaC25H38O2Si
Molecular Weight398.66 g/mol
Exact Mass398.26
IUPAC Name2,4-dimethylpentan-3-yloxy-hexoxy-diphenylsilane
SMILESCCCCCCO[Si](OC(C(C)C)C(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H38O2Si/c1-6-7-8-15-20-26-28(23-16-11-9-12-17-23,24-18-13-10-14-19-24)27-25(21(2)3)22(4)5/h9-14,16-19,21-22,25H,6-8,15,20H2,1-5H3
InChIKeyBXGIVAHYENIKCY-UHFFFAOYSA-N
XLogP5.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.66
LogP ≤ 55.54
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

Diphenyldiethoxysilane
CID 75705
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
Diphenyl-dipropoxy-silane
CID 14324871
Tert-butyl-cycloheptyloxy-diphenylsilane
CID 90682026
6-((tert-Butyldiphenylsilyl)oxy)hexan-1-ol
CID 11013734
tert-Butyl(hexyloxy)diphenylsilane
CID 11338517
(R)-4-(tert-Butyldiphenylsilyloxy)-3-methyl-1-butanol
CID 23727941
Tert-butyl-(4,4-difluoro-2-methylbutoxy)-diphenylsilane
CID 176438012
Dibutoxy(diphenyl)silane
CID 13637536
t-Butyl-(3-methylbut-3-enyloxy)diphenylsilane
CID 605219

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentan-3-yloxy-hexoxy-diphenylsilane?
The IUPAC name of 2,4-dimethylpentan-3-yloxy-hexoxy-diphenylsilane (CID 91740901) is 2,4-dimethylpentan-3-yloxy-hexoxy-diphenylsilane.
What is the SMILES notation for 2,4-dimethylpentan-3-yloxy-hexoxy-diphenylsilane?
The canonical SMILES for 2,4-dimethylpentan-3-yloxy-hexoxy-diphenylsilane is CCCCCCO[Si](OC(C(C)C)C(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,4-dimethylpentan-3-yloxy-hexoxy-diphenylsilane?
The InChIKey is BXGIVAHYENIKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38O2Si/c1-6-7-8-15-20-26-28(23-16-11-9-12-17-23,24-18-13-10-14-19-24)27-25(21(2)3)22(4)5/h9-14,16-19,21-22,25H,6-8,15,20H2,1-5H3.
What are the key properties of 2,4-dimethylpentan-3-yloxy-hexoxy-diphenylsilane?
2,4-dimethylpentan-3-yloxy-hexoxy-diphenylsilane has a molecular weight of 398.66 g/mol, XLogP of 5.54, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentan-3-yloxy-hexoxy-diphenylsilane is sourced from PubChem (CID 91740901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).