chloromethyl-dimethyl-tridecan-5-yloxysilane

C16H35ClOSi — CID 554244

IUPACchloromethyl-dimethyl-tridecan-5-yloxysilane
SMILESCCCCCCCCC(CCCC)O[Si](C)(C)CCl
InChIInChI=1S/C16H35ClOSi/c1-5-7-9-10-11-12-14-16(13-8-6-2)18-19(3,4)15-17/h16H,5-15H2,1-4H3
InChIKeyPFYCTTABZOZVTA-UHFFFAOYSA-N
MW306.99 g/mol
LogP6.30
Rot. Bonds13

About chloromethyl-dimethyl-tridecan-5-yloxysilane

chloromethyl-dimethyl-tridecan-5-yloxysilane (PubChem CID 554244) has the molecular formula C16H35ClOSi and a molecular weight of 306.99 g/mol. Its IUPAC name is chloromethyl-dimethyl-tridecan-5-yloxysilane.

Molecular Properties

Compound Namechloromethyl-dimethyl-tridecan-5-yloxysilane
PubChem CID554244
Molecular FormulaC16H35ClOSi
Molecular Weight306.99 g/mol
Exact Mass306.21
IUPAC Namechloromethyl-dimethyl-tridecan-5-yloxysilane
SMILESCCCCCCCCC(CCCC)O[Si](C)(C)CCl
InChIInChI=1S/C16H35ClOSi/c1-5-7-9-10-11-12-14-16(13-8-6-2)18-19(3,4)15-17/h16H,5-15H2,1-4H3
InChIKeyPFYCTTABZOZVTA-UHFFFAOYSA-N
XLogP6.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.99
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

chloromethyl-dimethyl-octan-4-yloxysilane
CID 554607
chloromethyl-dimethyl-tridecan-2-yloxysilane
CID 554737
dodecan-6-yloxy-ethyl-dimethylsilane
CID 536242
decan-5-yloxy(trimethyl)silane
CID 553210
ethyl-dimethyl-tridecan-4-yloxysilane
CID 554753
ethyl-dimethyl-tetradecan-4-yloxysilane
CID 534475
dimethyl-tridecan-4-yloxy-trimethylsilylsilane
CID 590056
dichloromethyl-dimethyl-tridecan-6-yloxysilane
CID 554263
(5S)-5-methoxyundecane
CID 118889956
dimethyl-pentadecan-4-yloxy-propan-2-ylsilane
CID 554330
methyl 8-trimethylsilyloxyhexadecanoate
CID 14454572
methyl 4-trimethylsilyloxyhexadecanoate
CID 71410391

Frequently Asked Questions

What is the IUPAC name of chloromethyl-dimethyl-tridecan-5-yloxysilane?
The IUPAC name of chloromethyl-dimethyl-tridecan-5-yloxysilane (CID 554244) is chloromethyl-dimethyl-tridecan-5-yloxysilane.
What is the SMILES notation for chloromethyl-dimethyl-tridecan-5-yloxysilane?
The canonical SMILES for chloromethyl-dimethyl-tridecan-5-yloxysilane is CCCCCCCCC(CCCC)O[Si](C)(C)CCl.
What is the InChIKey of chloromethyl-dimethyl-tridecan-5-yloxysilane?
The InChIKey is PFYCTTABZOZVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35ClOSi/c1-5-7-9-10-11-12-14-16(13-8-6-2)18-19(3,4)15-17/h16H,5-15H2,1-4H3.
What are the key properties of chloromethyl-dimethyl-tridecan-5-yloxysilane?
chloromethyl-dimethyl-tridecan-5-yloxysilane has a molecular weight of 306.99 g/mol, XLogP of 6.30, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl-dimethyl-tridecan-5-yloxysilane is sourced from PubChem (CID 554244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).