tert-butyl-[4-(3-chloro-5-octoxy-2-pyridinyl)phenoxy]-diphenylsilane

C35H42ClNO2Si — CID 19050001

IUPACtert-butyl-[4-(3-chloro-5-octoxy-2-pyridinyl)phenoxy]-diphenylsilane
SMILESCCCCCCCCOc1cnc(-c2ccc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc2)c(Cl)c1
InChIInChI=1S/C35H42ClNO2Si/c1-5-6-7-8-9-16-25-38-30-26-33(36)34(37-27-30)28-21-23-29(24-22-28)39-40(35(2,3)4,31-17-12-10-13-18-31)32-19-14-11-15-20-32/h10-15,17-24,26-27H,5-9,16,25H2,1-4H3
InChIKeyKOCAIDFZWRMCIY-UHFFFAOYSA-N
MW572.27 g/mol
LogP9.08
Rot. Bonds13

About tert-butyl-[4-(3-chloro-5-octoxy-2-pyridinyl)phenoxy]-diphenylsilane

tert-butyl-[4-(3-chloro-5-octoxy-2-pyridinyl)phenoxy]-diphenylsilane (PubChem CID 19050001) has the molecular formula C35H42ClNO2Si and a molecular weight of 572.27 g/mol. Its IUPAC name is tert-butyl-[4-(3-chloro-5-octoxy-2-pyridinyl)phenoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(3-chloro-5-octoxy-2-pyridinyl)phenoxy]-diphenylsilane
PubChem CID19050001
Molecular FormulaC35H42ClNO2Si
Molecular Weight572.27 g/mol
Exact Mass571.27
IUPAC Nametert-butyl-[4-(3-chloro-5-octoxy-2-pyridinyl)phenoxy]-diphenylsilane
SMILESCCCCCCCCOc1cnc(-c2ccc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc2)c(Cl)c1
InChIInChI=1S/C35H42ClNO2Si/c1-5-6-7-8-9-16-25-38-30-26-33(36)34(37-27-30)28-21-23-29(24-22-28)39-40(35(2,3)4,31-17-12-10-13-18-31)32-19-14-11-15-20-32/h10-15,17-24,26-27H,5-9,16,25H2,1-4H3
InChIKeyKOCAIDFZWRMCIY-UHFFFAOYSA-N
XLogP9.08
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.27
LogP ≤ 59.08
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'}

Analyze tert-butyl-[4-(3-chloro-5-octoxy-2-pyridinyl)phenoxy]-diphenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-5-octoxy-2-(4-octoxyphenyl)pyridine
CID 19050000
2-[4-[tert-butyl(diphenyl)silyl]oxyphenoxy]ethanol
CID 10916195
[5-chloro-6-(4-octoxyphenyl)-3-pyridinyl] 4-pentylcyclohexane-1-carboxylate
CID 54452770
2-(4-hexoxyphenyl)-5-(10-phenoxydecoxy)pyrimidine
CID 102143365
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
1-pentoxy-4-phenylbenzene
CID 7021155
[4-[tert-butyl(diphenyl)silyl]oxyphenyl]azanium
CID 140590234
tert-butyl-diphenyl-tetradec-8-ynoxysilane
CID 90132306
2-(4-octoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 4148530
5-heptoxy-2-(4-octoxyphenyl)pyrimidine
CID 14794369
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
pentoxybenzene;undecane
CID 174778179

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-(3-chloro-5-octoxy-2-pyridinyl)phenoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[4-(3-chloro-5-octoxy-2-pyridinyl)phenoxy]-diphenylsilane (CID 19050001) is tert-butyl-[4-(3-chloro-5-octoxy-2-pyridinyl)phenoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[4-(3-chloro-5-octoxy-2-pyridinyl)phenoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[4-(3-chloro-5-octoxy-2-pyridinyl)phenoxy]-diphenylsilane is CCCCCCCCOc1cnc(-c2ccc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc2)c(Cl)c1.
What is the InChIKey of tert-butyl-[4-(3-chloro-5-octoxy-2-pyridinyl)phenoxy]-diphenylsilane?
The InChIKey is KOCAIDFZWRMCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42ClNO2Si/c1-5-6-7-8-9-16-25-38-30-26-33(36)34(37-27-30)28-21-23-29(24-22-28)39-40(35(2,3)4,31-17-12-10-13-18-31)32-19-14-11-15-20-32/h10-15,17-24,26-27H,5-9,16,25H2,1-4H3.
What are the key properties of tert-butyl-[4-(3-chloro-5-octoxy-2-pyridinyl)phenoxy]-diphenylsilane?
tert-butyl-[4-(3-chloro-5-octoxy-2-pyridinyl)phenoxy]-diphenylsilane has a molecular weight of 572.27 g/mol, XLogP of 9.08, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(3-chloro-5-octoxy-2-pyridinyl)phenoxy]-diphenylsilane is sourced from PubChem (CID 19050001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).