cyclohex-3-en-1-ylmethoxy-nonoxy-diphenylsilane

C28H40O2Si — CID 91700507

IUPACcyclohex-3-en-1-ylmethoxy-nonoxy-diphenylsilane
SMILESCCCCCCCCCO[Si](OCC1CC=CCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H40O2Si/c1-2-3-4-5-6-7-17-24-29-31(27-20-13-9-14-21-27,28-22-15-10-16-23-28)30-25-26-18-11-8-12-19-26/h8-11,13-16,20-23,26H,2-7,12,17-19,24-25H2,1H3
InChIKeyXWICGPABILNVND-UHFFFAOYSA-N
MW436.71 g/mol
LogP6.38
Rot. Bonds14

About cyclohex-3-en-1-ylmethoxy-nonoxy-diphenylsilane

cyclohex-3-en-1-ylmethoxy-nonoxy-diphenylsilane (PubChem CID 91700507) has the molecular formula C28H40O2Si and a molecular weight of 436.71 g/mol. Its IUPAC name is cyclohex-3-en-1-ylmethoxy-nonoxy-diphenylsilane.

Molecular Properties

Compound Namecyclohex-3-en-1-ylmethoxy-nonoxy-diphenylsilane
PubChem CID91700507
Molecular FormulaC28H40O2Si
Molecular Weight436.71 g/mol
Exact Mass436.28
IUPAC Namecyclohex-3-en-1-ylmethoxy-nonoxy-diphenylsilane
SMILESCCCCCCCCCO[Si](OCC1CC=CCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H40O2Si/c1-2-3-4-5-6-7-17-24-29-31(27-20-13-9-14-21-27,28-22-15-10-16-23-28)30-25-26-18-11-8-12-19-26/h8-11,13-16,20-23,26H,2-7,12,17-19,24-25H2,1H3
InChIKeyXWICGPABILNVND-UHFFFAOYSA-N
XLogP6.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.71
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Silane, (1,1-dimethylethyl)dimethyl(1-methyl-3-phenylpropoxy)-
CID 10890759
Diphenylmethyl(norbornenemethoxy)silane
CID 23448607
Tert-butyl-cycloheptyloxy-diphenylsilane
CID 90682026
tert-Butyl(hexyloxy)diphenylsilane
CID 11338517
Ditert-butyl(3-phenylpropoxy)silane
CID 554567
Triethyl(3-phenylpropoxy)silane
CID 561771
1-Dimethyl(phenyl)silyloxy-10-undecene
CID 586346
1-Triisopropylsilyloxy-3-phenylpropane
CID 619294
1-Di(tert-butyl)silyloxy-2-phenylethane
CID 6329257
Tert-butyldimethyl(3-phenylpropoxy)silane
CID 10083485
9-[Tert-butyl(diphenyl)silyl]oxynonan-1-ol
CID 14940128
1-Phenyl-3-dimethyl(pentafluorophenyl)silyloxypropane
CID 576398

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-ylmethoxy-nonoxy-diphenylsilane?
The IUPAC name of cyclohex-3-en-1-ylmethoxy-nonoxy-diphenylsilane (CID 91700507) is cyclohex-3-en-1-ylmethoxy-nonoxy-diphenylsilane.
What is the SMILES notation for cyclohex-3-en-1-ylmethoxy-nonoxy-diphenylsilane?
The canonical SMILES for cyclohex-3-en-1-ylmethoxy-nonoxy-diphenylsilane is CCCCCCCCCO[Si](OCC1CC=CCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of cyclohex-3-en-1-ylmethoxy-nonoxy-diphenylsilane?
The InChIKey is XWICGPABILNVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40O2Si/c1-2-3-4-5-6-7-17-24-29-31(27-20-13-9-14-21-27,28-22-15-10-16-23-28)30-25-26-18-11-8-12-19-26/h8-11,13-16,20-23,26H,2-7,12,17-19,24-25H2,1H3.
What are the key properties of cyclohex-3-en-1-ylmethoxy-nonoxy-diphenylsilane?
cyclohex-3-en-1-ylmethoxy-nonoxy-diphenylsilane has a molecular weight of 436.71 g/mol, XLogP of 6.38, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-ylmethoxy-nonoxy-diphenylsilane is sourced from PubChem (CID 91700507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).