(4-chlorophenyl)methoxy-dimethyl-tetradecoxysilane

C23H41ClO2Si — CID 91734969

IUPAC(4-chlorophenyl)methoxy-dimethyl-tetradecoxysilane
SMILESCCCCCCCCCCCCCCO[Si](C)(C)OCc1ccc(Cl)cc1
InChIInChI=1S/C23H41ClO2Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-25-27(2,3)26-21-22-16-18-23(24)19-17-22/h16-19H,4-15,20-21H2,1-3H3
InChIKeyYQXUMMKDCCLYGP-UHFFFAOYSA-N
MW413.12 g/mol
LogP8.28
Rot. Bonds17

About (4-chlorophenyl)methoxy-dimethyl-tetradecoxysilane

(4-chlorophenyl)methoxy-dimethyl-tetradecoxysilane (PubChem CID 91734969) has the molecular formula C23H41ClO2Si and a molecular weight of 413.12 g/mol. Its IUPAC name is (4-chlorophenyl)methoxy-dimethyl-tetradecoxysilane.

Molecular Properties

Compound Name(4-chlorophenyl)methoxy-dimethyl-tetradecoxysilane
PubChem CID91734969
Molecular FormulaC23H41ClO2Si
Molecular Weight413.12 g/mol
Exact Mass412.26
IUPAC Name(4-chlorophenyl)methoxy-dimethyl-tetradecoxysilane
SMILESCCCCCCCCCCCCCCO[Si](C)(C)OCc1ccc(Cl)cc1
InChIInChI=1S/C23H41ClO2Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-25-27(2,3)26-21-22-16-18-23(24)19-17-22/h16-19H,4-15,20-21H2,1-3H3
InChIKeyYQXUMMKDCCLYGP-UHFFFAOYSA-N
XLogP8.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.12
LogP ≤ 58.28
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-dimethyl-tetradecoxysilane?
The IUPAC name of (4-chlorophenyl)methoxy-dimethyl-tetradecoxysilane (CID 91734969) is (4-chlorophenyl)methoxy-dimethyl-tetradecoxysilane.
What is the SMILES notation for (4-chlorophenyl)methoxy-dimethyl-tetradecoxysilane?
The canonical SMILES for (4-chlorophenyl)methoxy-dimethyl-tetradecoxysilane is CCCCCCCCCCCCCCO[Si](C)(C)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methoxy-dimethyl-tetradecoxysilane?
The InChIKey is YQXUMMKDCCLYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41ClO2Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-25-27(2,3)26-21-22-16-18-23(24)19-17-22/h16-19H,4-15,20-21H2,1-3H3.
What are the key properties of (4-chlorophenyl)methoxy-dimethyl-tetradecoxysilane?
(4-chlorophenyl)methoxy-dimethyl-tetradecoxysilane has a molecular weight of 413.12 g/mol, XLogP of 8.28, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methoxy-dimethyl-tetradecoxysilane is sourced from PubChem (CID 91734969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).