dichloromethyl-dimethyl-tridec-2-ynoxysilane

C16H30Cl2OSi — CID 531256

IUPACdichloromethyl-dimethyl-tridec-2-ynoxysilane
SMILESCCCCCCCCCCC#CCO[Si](C)(C)C(Cl)Cl
InChIInChI=1S/C16H30Cl2OSi/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-20(2,3)16(17)18/h16H,4-12,15H2,1-3H3
InChIKeyAUOBOAMSTQBUHD-UHFFFAOYSA-N
MW337.41 g/mol
LogP6.09
Rot. Bonds11

About dichloromethyl-dimethyl-tridec-2-ynoxysilane

dichloromethyl-dimethyl-tridec-2-ynoxysilane (PubChem CID 531256) has the molecular formula C16H30Cl2OSi and a molecular weight of 337.41 g/mol. Its IUPAC name is dichloromethyl-dimethyl-tridec-2-ynoxysilane.

Molecular Properties

Compound Namedichloromethyl-dimethyl-tridec-2-ynoxysilane
PubChem CID531256
Molecular FormulaC16H30Cl2OSi
Molecular Weight337.41 g/mol
Exact Mass336.14
IUPAC Namedichloromethyl-dimethyl-tridec-2-ynoxysilane
SMILESCCCCCCCCCCC#CCO[Si](C)(C)C(Cl)Cl
InChIInChI=1S/C16H30Cl2OSi/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-20(2,3)16(17)18/h16H,4-12,15H2,1-3H3
InChIKeyAUOBOAMSTQBUHD-UHFFFAOYSA-N
XLogP6.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.41
LogP ≤ 56.09
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

henicos-8-yne
CID 22224321
cyclohexyl-dimethyl-tridec-2-ynoxysilane
CID 531368
1-[(2-methylpropan-2-yl)oxy]dec-2-yne
CID 102173268
pentacos-4-yne
CID 22223888
nonacos-4-yne
CID 22223961
trimethyl(non-2-ynyl)silane
CID 12616863
dichloromethyl-dimethyl-propoxysilane
CID 554638
hexadec-2-yn-1-ol
CID 11010038
octadec-2-yn-1-ol
CID 2825194
18,21-dimethyloctacos-12-yne
CID 22224150
dichloromethyl-dimethyl-tridecan-6-yloxysilane
CID 554263
16-butan-2-ylhexacos-6-yne
CID 22223780

Frequently Asked Questions

What is the IUPAC name of dichloromethyl-dimethyl-tridec-2-ynoxysilane?
The IUPAC name of dichloromethyl-dimethyl-tridec-2-ynoxysilane (CID 531256) is dichloromethyl-dimethyl-tridec-2-ynoxysilane.
What is the SMILES notation for dichloromethyl-dimethyl-tridec-2-ynoxysilane?
The canonical SMILES for dichloromethyl-dimethyl-tridec-2-ynoxysilane is CCCCCCCCCCC#CCO[Si](C)(C)C(Cl)Cl.
What is the InChIKey of dichloromethyl-dimethyl-tridec-2-ynoxysilane?
The InChIKey is AUOBOAMSTQBUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30Cl2OSi/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-20(2,3)16(17)18/h16H,4-12,15H2,1-3H3.
What are the key properties of dichloromethyl-dimethyl-tridec-2-ynoxysilane?
dichloromethyl-dimethyl-tridec-2-ynoxysilane has a molecular weight of 337.41 g/mol, XLogP of 6.09, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethyl-dimethyl-tridec-2-ynoxysilane is sourced from PubChem (CID 531256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).