(4-chlorophenyl)methoxy-docosoxy-dimethylsilane

C31H57ClO2Si — CID 91735015

IUPAC(4-chlorophenyl)methoxy-docosoxy-dimethylsilane
SMILESCCCCCCCCCCCCCCCCCCCCCCO[Si](C)(C)OCc1ccc(Cl)cc1
InChIInChI=1S/C31H57ClO2Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-33-35(2,3)34-29-30-24-26-31(32)27-25-30/h24-27H,4-23,28-29H2,1-3H3
InChIKeyIXAFXHVWQDYLKY-UHFFFAOYSA-N
MW525.33 g/mol
LogP11.40
Rot. Bonds25

About (4-chlorophenyl)methoxy-docosoxy-dimethylsilane

(4-chlorophenyl)methoxy-docosoxy-dimethylsilane (PubChem CID 91735015) has the molecular formula C31H57ClO2Si and a molecular weight of 525.33 g/mol. Its IUPAC name is (4-chlorophenyl)methoxy-docosoxy-dimethylsilane.

Molecular Properties

Compound Name(4-chlorophenyl)methoxy-docosoxy-dimethylsilane
PubChem CID91735015
Molecular FormulaC31H57ClO2Si
Molecular Weight525.33 g/mol
Exact Mass524.38
IUPAC Name(4-chlorophenyl)methoxy-docosoxy-dimethylsilane
SMILESCCCCCCCCCCCCCCCCCCCCCCO[Si](C)(C)OCc1ccc(Cl)cc1
InChIInChI=1S/C31H57ClO2Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-33-35(2,3)34-29-30-24-26-31(32)27-25-30/h24-27H,4-23,28-29H2,1-3H3
InChIKeyIXAFXHVWQDYLKY-UHFFFAOYSA-N
XLogP11.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.33
LogP ≤ 511.40
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

alpha-(Difluoromethylene)-4-chlorobenzyloxytrimethylsilane
CID 11747440
Triethyl(4-chlorobenzyloxy)silane
CID 580827
Trimethylsiloxy 4-chlorophenylacetonitrile
CID 10776410
1-Chloro-4-((((1,1-dimethylethyl)dimethylsilyl)oxy)methyl)benzene
CID 11299849
4-Chlorobenzyl alcohol, n-pentyl ether
CID 23188715
Tert-butyl-[1-(4-chlorophenyl)but-3-enoxy]-dimethylsilane
CID 89510156
2-Chloro-6-fluorobenzyl alcohol, benzyldimethylsilyl ether
CID 91735267
2-Chloro-6-fluorobenzyl alcohol, tert-butyldimethylsilyl ether
CID 91733153
[(4-Chlorophenyl)-(3-fluorophenyl)methoxy]-dimethyl-phenylsilane
CID 178337030
Silane, [(4-chlorophenyl)methoxy]trimethyl-
CID 580476
2,4-Dichlorophenylmethoxy(trimethyl)silane
CID 594300
2-Chlorobenzyloxy-trimethylsilane
CID 11310436

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methoxy-docosoxy-dimethylsilane?
The IUPAC name of (4-chlorophenyl)methoxy-docosoxy-dimethylsilane (CID 91735015) is (4-chlorophenyl)methoxy-docosoxy-dimethylsilane.
What is the SMILES notation for (4-chlorophenyl)methoxy-docosoxy-dimethylsilane?
The canonical SMILES for (4-chlorophenyl)methoxy-docosoxy-dimethylsilane is CCCCCCCCCCCCCCCCCCCCCCO[Si](C)(C)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methoxy-docosoxy-dimethylsilane?
The InChIKey is IXAFXHVWQDYLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H57ClO2Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-33-35(2,3)34-29-30-24-26-31(32)27-25-30/h24-27H,4-23,28-29H2,1-3H3.
What are the key properties of (4-chlorophenyl)methoxy-docosoxy-dimethylsilane?
(4-chlorophenyl)methoxy-docosoxy-dimethylsilane has a molecular weight of 525.33 g/mol, XLogP of 11.40, 25 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methoxy-docosoxy-dimethylsilane is sourced from PubChem (CID 91735015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).