(4-chloro-4,5-dimethylhenicosyl)-dimethoxysilane

C25H53ClO2Si — CID 173109650

IUPAC(4-chloro-4,5-dimethylhenicosyl)-dimethoxysilane
SMILESCCCCCCCCCCCCCCCCC(C)C(C)(Cl)CCC[SiH](OC)OC
InChIInChI=1S/C25H53ClO2Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(2)25(3,26)22-20-23-29(27-4)28-5/h24,29H,6-23H2,1-5H3
InChIKeyDYGNMCWHNWPLDD-UHFFFAOYSA-N
MW449.24 g/mol
LogP8.78
Rot. Bonds22

About (4-chloro-4,5-dimethylhenicosyl)-dimethoxysilane

(4-chloro-4,5-dimethylhenicosyl)-dimethoxysilane (PubChem CID 173109650) has the molecular formula C25H53ClO2Si and a molecular weight of 449.24 g/mol. Its IUPAC name is (4-chloro-4,5-dimethylhenicosyl)-dimethoxysilane.

Molecular Properties

Compound Name(4-chloro-4,5-dimethylhenicosyl)-dimethoxysilane
PubChem CID173109650
Molecular FormulaC25H53ClO2Si
Molecular Weight449.24 g/mol
Exact Mass448.35
IUPAC Name(4-chloro-4,5-dimethylhenicosyl)-dimethoxysilane
SMILESCCCCCCCCCCCCCCCCC(C)C(C)(Cl)CCC[SiH](OC)OC
InChIInChI=1S/C25H53ClO2Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(2)25(3,26)22-20-23-29(27-4)28-5/h24,29H,6-23H2,1-5H3
InChIKeyDYGNMCWHNWPLDD-UHFFFAOYSA-N
XLogP8.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.24
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-chloro-4,5-dimethyltridecane
CID 152641357
CID 19752067
CID 19752067
2-[(4-chloro-4,5-dimethylhenicosyl)-dimethoxysilyl]oxyethanol
CID 87605356
heptadecyl(dimethoxy)silane
CID 173012112
dimethoxy(nonyl)silane
CID 154057580
docosyl(dimethoxy)silane
CID 150688039
2-chloro-2,3-dimethyltridecane
CID 87222996
2-chloro-2,3-dimethylnonane
CID 87897655
dimethoxy(pentyl)silane;propan-2-amine
CID 175239274
13-chloro-13-dodecyl-14-methylhexacosane
CID 88839869
2-methoxy-2,3-dimethylundecane
CID 150941081
12-chloro-13-methyl-12-undecyltetracosane
CID 88839941

Frequently Asked Questions

What is the IUPAC name of (4-chloro-4,5-dimethylhenicosyl)-dimethoxysilane?
The IUPAC name of (4-chloro-4,5-dimethylhenicosyl)-dimethoxysilane (CID 173109650) is (4-chloro-4,5-dimethylhenicosyl)-dimethoxysilane.
What is the SMILES notation for (4-chloro-4,5-dimethylhenicosyl)-dimethoxysilane?
The canonical SMILES for (4-chloro-4,5-dimethylhenicosyl)-dimethoxysilane is CCCCCCCCCCCCCCCCC(C)C(C)(Cl)CCC[SiH](OC)OC.
What is the InChIKey of (4-chloro-4,5-dimethylhenicosyl)-dimethoxysilane?
The InChIKey is DYGNMCWHNWPLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53ClO2Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(2)25(3,26)22-20-23-29(27-4)28-5/h24,29H,6-23H2,1-5H3.
What are the key properties of (4-chloro-4,5-dimethylhenicosyl)-dimethoxysilane?
(4-chloro-4,5-dimethylhenicosyl)-dimethoxysilane has a molecular weight of 449.24 g/mol, XLogP of 8.78, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-4,5-dimethylhenicosyl)-dimethoxysilane is sourced from PubChem (CID 173109650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).