cyclohexyl-dimethyl-tridec-2-ynoxysilane

C21H40OSi — CID 531368

IUPACcyclohexyl-dimethyl-tridec-2-ynoxysilane
SMILESCCCCCCCCCCC#CCO[Si](C)(C)C1CCCCC1
InChIInChI=1S/C21H40OSi/c1-4-5-6-7-8-9-10-11-12-13-17-20-22-23(2,3)21-18-15-14-16-19-21/h21H,4-12,14-16,18-20H2,1-3H3
InChIKeyJJSJTODYRSABQC-UHFFFAOYSA-N
MW336.64 g/mol
LogP7.08
Rot. Bonds11

About cyclohexyl-dimethyl-tridec-2-ynoxysilane

cyclohexyl-dimethyl-tridec-2-ynoxysilane (PubChem CID 531368) has the molecular formula C21H40OSi and a molecular weight of 336.64 g/mol. Its IUPAC name is cyclohexyl-dimethyl-tridec-2-ynoxysilane.

Molecular Properties

Compound Namecyclohexyl-dimethyl-tridec-2-ynoxysilane
PubChem CID531368
Molecular FormulaC21H40OSi
Molecular Weight336.64 g/mol
Exact Mass336.28
IUPAC Namecyclohexyl-dimethyl-tridec-2-ynoxysilane
SMILESCCCCCCCCCCC#CCO[Si](C)(C)C1CCCCC1
InChIInChI=1S/C21H40OSi/c1-4-5-6-7-8-9-10-11-12-13-17-20-22-23(2,3)21-18-15-14-16-19-21/h21H,4-12,14-16,18-20H2,1-3H3
InChIKeyJJSJTODYRSABQC-UHFFFAOYSA-N
XLogP7.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.64
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl-dimethyl-[(E)-undec-2-enoxy]silane
CID 5353206
dichloromethyl-dimethyl-tridec-2-ynoxysilane
CID 531256
dodec-1-ynylcycloheptane
CID 11579803
2-octadeca-2,5,8-triynoxyoxane
CID 11099965
henicos-8-yne
CID 22224321
dicyclohexyl(tetradec-1-ynyl)phosphane
CID 102108656
cyclohexyl-dimethyl-tetradecan-4-yloxysilane
CID 554902
(2S)-2-tridec-6-ynoxyoxane
CID 124565996
1-[(2-methylpropan-2-yl)oxy]dec-2-yne
CID 102173268
dicyclopentyl-heptyl-methylsilane
CID 162290735
nonacos-4-yne
CID 22223961
pentacos-4-yne
CID 22223888

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-dimethyl-tridec-2-ynoxysilane?
The IUPAC name of cyclohexyl-dimethyl-tridec-2-ynoxysilane (CID 531368) is cyclohexyl-dimethyl-tridec-2-ynoxysilane.
What is the SMILES notation for cyclohexyl-dimethyl-tridec-2-ynoxysilane?
The canonical SMILES for cyclohexyl-dimethyl-tridec-2-ynoxysilane is CCCCCCCCCCC#CCO[Si](C)(C)C1CCCCC1.
What is the InChIKey of cyclohexyl-dimethyl-tridec-2-ynoxysilane?
The InChIKey is JJSJTODYRSABQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40OSi/c1-4-5-6-7-8-9-10-11-12-13-17-20-22-23(2,3)21-18-15-14-16-19-21/h21H,4-12,14-16,18-20H2,1-3H3.
What are the key properties of cyclohexyl-dimethyl-tridec-2-ynoxysilane?
cyclohexyl-dimethyl-tridec-2-ynoxysilane has a molecular weight of 336.64 g/mol, XLogP of 7.08, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-dimethyl-tridec-2-ynoxysilane is sourced from PubChem (CID 531368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).