(5-methoxy-3-methylpentoxy)-(4-methylpentoxy)-diphenylsilane

C25H38O3Si — CID 91698381

IUPAC(5-methoxy-3-methylpentoxy)-(4-methylpentoxy)-diphenylsilane
SMILESCOCCC(C)CCO[Si](OCCCC(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H38O3Si/c1-22(2)12-11-19-27-29(24-13-7-5-8-14-24,25-15-9-6-10-16-25)28-21-18-23(3)17-20-26-4/h5-10,13-16,22-23H,11-12,17-21H2,1-4H3
InChIKeyOQEJCHHFHNYPJC-UHFFFAOYSA-N
MW414.66 g/mol
LogP4.78
Rot. Bonds14

About (5-methoxy-3-methylpentoxy)-(4-methylpentoxy)-diphenylsilane

(5-methoxy-3-methylpentoxy)-(4-methylpentoxy)-diphenylsilane (PubChem CID 91698381) has the molecular formula C25H38O3Si and a molecular weight of 414.66 g/mol. Its IUPAC name is (5-methoxy-3-methylpentoxy)-(4-methylpentoxy)-diphenylsilane.

Molecular Properties

Compound Name(5-methoxy-3-methylpentoxy)-(4-methylpentoxy)-diphenylsilane
PubChem CID91698381
Molecular FormulaC25H38O3Si
Molecular Weight414.66 g/mol
Exact Mass414.26
IUPAC Name(5-methoxy-3-methylpentoxy)-(4-methylpentoxy)-diphenylsilane
SMILESCOCCC(C)CCO[Si](OCCCC(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H38O3Si/c1-22(2)12-11-19-27-29(24-13-7-5-8-14-24,25-15-9-6-10-16-25)28-21-18-23(3)17-20-26-4/h5-10,13-16,22-23H,11-12,17-21H2,1-4H3
InChIKeyOQEJCHHFHNYPJC-UHFFFAOYSA-N
XLogP4.78
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.66
LogP ≤ 54.78
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(hexyloxy)diphenylsilane
CID 11338517
Dibutoxy(diphenyl)silane
CID 13637536
5-(tert-Butyldiphenylsilyloxy)pentan-1-ol
CID 10925936
((1S,2R)-2-(((tert-Butyldiphenylsilyl)oxy)methyl)cyclopropyl)methanol
CID 11131629
tert-butyl-[(2R)-hept-6-en-2-yl]oxy-diphenylsilane
CID 44178593
Silane, diphenyl(2,2,3,4,4,4-hexafluorobutoxy)isohexyloxy-
CID 91698383
Silane, diphenyl(2-fluoroethoxy)isohexyloxy-
CID 91717509
Silane, diphenyl(2-fluoroethoxy)pentyloxy-
CID 91717521
Silane, diphenylisohexyloxy(1,1,1-trifluoroprop-2-yloxy)-
CID 91733056
Silane, diphenylisohexyloxy(2,2,3,3-tetrafluoropropoxy)-
CID 91733057
Silane, diphenylisohexyloxy(2,2,3,3,4,4,5,5-octafluoropentyloxy)-
CID 91733060
Silane, diphenylisohexyloxy(2,2,3,3,3-pentafluoropropoxy)-
CID 91733065

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-3-methylpentoxy)-(4-methylpentoxy)-diphenylsilane?
The IUPAC name of (5-methoxy-3-methylpentoxy)-(4-methylpentoxy)-diphenylsilane (CID 91698381) is (5-methoxy-3-methylpentoxy)-(4-methylpentoxy)-diphenylsilane.
What is the SMILES notation for (5-methoxy-3-methylpentoxy)-(4-methylpentoxy)-diphenylsilane?
The canonical SMILES for (5-methoxy-3-methylpentoxy)-(4-methylpentoxy)-diphenylsilane is COCCC(C)CCO[Si](OCCCC(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of (5-methoxy-3-methylpentoxy)-(4-methylpentoxy)-diphenylsilane?
The InChIKey is OQEJCHHFHNYPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38O3Si/c1-22(2)12-11-19-27-29(24-13-7-5-8-14-24,25-15-9-6-10-16-25)28-21-18-23(3)17-20-26-4/h5-10,13-16,22-23H,11-12,17-21H2,1-4H3.
What are the key properties of (5-methoxy-3-methylpentoxy)-(4-methylpentoxy)-diphenylsilane?
(5-methoxy-3-methylpentoxy)-(4-methylpentoxy)-diphenylsilane has a molecular weight of 414.66 g/mol, XLogP of 4.78, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-3-methylpentoxy)-(4-methylpentoxy)-diphenylsilane is sourced from PubChem (CID 91698381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).