1-cyclohexylnon-2-ynoxy-[dimethyl(phenyl)silyl]-diphenylsilane

C35H46OSi2 — CID 11135314

IUPAC1-cyclohexylnon-2-ynoxy-[dimethyl(phenyl)silyl]-diphenylsilane
SMILESCCCCCCC#CC(O[Si](c1ccccc1)(c1ccccc1)[Si](C)(C)c1ccccc1)C1CCCCC1
InChIInChI=1S/C35H46OSi2/c1-4-5-6-7-8-21-30-35(31-22-13-9-14-23-31)36-38(33-26-17-11-18-27-33,34-28-19-12-20-29-34)37(2,3)32-24-15-10-16-25-32/h10-12,15-20,24-29,31,35H,4-9,13-14,22-23H2,1-3H3
InChIKeyXLZWHZHKVGBTPL-UHFFFAOYSA-N
MW538.92 g/mol
LogP7.38
Rot. Bonds11

About 1-cyclohexylnon-2-ynoxy-[dimethyl(phenyl)silyl]-diphenylsilane

1-cyclohexylnon-2-ynoxy-[dimethyl(phenyl)silyl]-diphenylsilane (PubChem CID 11135314) has the molecular formula C35H46OSi2 and a molecular weight of 538.92 g/mol. Its IUPAC name is 1-cyclohexylnon-2-ynoxy-[dimethyl(phenyl)silyl]-diphenylsilane.

Molecular Properties

Compound Name1-cyclohexylnon-2-ynoxy-[dimethyl(phenyl)silyl]-diphenylsilane
PubChem CID11135314
Molecular FormulaC35H46OSi2
Molecular Weight538.92 g/mol
Exact Mass538.31
IUPAC Name1-cyclohexylnon-2-ynoxy-[dimethyl(phenyl)silyl]-diphenylsilane
SMILESCCCCCCC#CC(O[Si](c1ccccc1)(c1ccccc1)[Si](C)(C)c1ccccc1)C1CCCCC1
InChIInChI=1S/C35H46OSi2/c1-4-5-6-7-8-21-30-35(31-22-13-9-14-23-31)36-38(33-26-17-11-18-27-33,34-28-19-12-20-29-34)37(2,3)32-24-15-10-16-25-32/h10-12,15-20,24-29,31,35H,4-9,13-14,22-23H2,1-3H3
InChIKeyXLZWHZHKVGBTPL-UHFFFAOYSA-N
XLogP7.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.92
LogP ≤ 57.38
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

dec-3-yn-2-yloxy-diphenyl-trimethylsilylsilane
CID 134884951
dimethyl-oct-1-ynyl-phenylsilane
CID 13357120
cyclopentyloxy-octoxy-diphenylsilane
CID 91732637
(2-cyclohexyl-1,1-dimethoxydecyl)benzene
CID 150097969
cyclohexyl-dimethyl-tridec-2-ynoxysilane
CID 531368
2-methyldec-3-ynylbenzene
CID 102174838
dihexyl-methyl-phenylsilane
CID 71342172
1-[(2R,3S)-3-phenylmethoxyoxan-2-yl]oct-2-yn-1-ol
CID 101000915
[dimethyl(phenyl)silyl]-hexyl-methoxy-methylsilane
CID 139631934
tert-butyl-diphenyl-tetradec-8-ynoxysilane
CID 90132306
2-(1-cyclohexylhex-2-ynylsulfonyl)pyridine
CID 135073118
dodec-1-ynylcycloheptane
CID 11579803

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylnon-2-ynoxy-[dimethyl(phenyl)silyl]-diphenylsilane?
The IUPAC name of 1-cyclohexylnon-2-ynoxy-[dimethyl(phenyl)silyl]-diphenylsilane (CID 11135314) is 1-cyclohexylnon-2-ynoxy-[dimethyl(phenyl)silyl]-diphenylsilane.
What is the SMILES notation for 1-cyclohexylnon-2-ynoxy-[dimethyl(phenyl)silyl]-diphenylsilane?
The canonical SMILES for 1-cyclohexylnon-2-ynoxy-[dimethyl(phenyl)silyl]-diphenylsilane is CCCCCCC#CC(O[Si](c1ccccc1)(c1ccccc1)[Si](C)(C)c1ccccc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexylnon-2-ynoxy-[dimethyl(phenyl)silyl]-diphenylsilane?
The InChIKey is XLZWHZHKVGBTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46OSi2/c1-4-5-6-7-8-21-30-35(31-22-13-9-14-23-31)36-38(33-26-17-11-18-27-33,34-28-19-12-20-29-34)37(2,3)32-24-15-10-16-25-32/h10-12,15-20,24-29,31,35H,4-9,13-14,22-23H2,1-3H3.
What are the key properties of 1-cyclohexylnon-2-ynoxy-[dimethyl(phenyl)silyl]-diphenylsilane?
1-cyclohexylnon-2-ynoxy-[dimethyl(phenyl)silyl]-diphenylsilane has a molecular weight of 538.92 g/mol, XLogP of 7.38, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylnon-2-ynoxy-[dimethyl(phenyl)silyl]-diphenylsilane is sourced from PubChem (CID 11135314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).