cyclohex-3-en-1-ylmethoxy-heptoxy-diphenylsilane

C26H36O2Si — CID 91700506

IUPACcyclohex-3-en-1-ylmethoxy-heptoxy-diphenylsilane
SMILESCCCCCCCO[Si](OCC1CC=CCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H36O2Si/c1-2-3-4-5-15-22-27-29(25-18-11-7-12-19-25,26-20-13-8-14-21-26)28-23-24-16-9-6-10-17-24/h6-9,11-14,18-21,24H,2-5,10,15-17,22-23H2,1H3
InChIKeyIQINPJVUPYSGOS-UHFFFAOYSA-N
MW408.66 g/mol
LogP5.60
Rot. Bonds12

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

cyclohex-3-en-1-ylmethoxy-heptoxy-diphenylsilane (PubChem CID 91700506) has the molecular formula C26H36O2Si and a molecular weight of 408.66 g/mol. Its IUPAC name is cyclohex-3-en-1-ylmethoxy-heptoxy-diphenylsilane.

Molecular Properties

Compound Namecyclohex-3-en-1-ylmethoxy-heptoxy-diphenylsilane
PubChem CID91700506
Molecular FormulaC26H36O2Si
Molecular Weight408.66 g/mol
Exact Mass408.25
IUPAC Namecyclohex-3-en-1-ylmethoxy-heptoxy-diphenylsilane
SMILESCCCCCCCO[Si](OCC1CC=CCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H36O2Si/c1-2-3-4-5-15-22-27-29(25-18-11-7-12-19-25,26-20-13-8-14-21-26)28-23-24-16-9-6-10-17-24/h6-9,11-14,18-21,24H,2-5,10,15-17,22-23H2,1H3
InChIKeyIQINPJVUPYSGOS-UHFFFAOYSA-N
XLogP5.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.66
LogP ≤ 55.60
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

(Ethoxy)[tri(O-tolyl)]silane
CID 3476217
Dimethoxydi-p-tolylsilane
CID 11821755
Tert-butyl-cyclohexyloxy-diphenylsilane
CID 12619131
Diphenylmethyl(norbornenemethoxy)silane
CID 23448607
Tert-butyl-cycloheptyloxy-diphenylsilane
CID 90682026
6-((tert-Butyldiphenylsilyl)oxy)hexan-1-ol
CID 11013734
tert-Butyl(hexyloxy)diphenylsilane
CID 11338517
Dibutoxy(diphenyl)silane
CID 13637536
Ditert-butyl(3-phenylpropoxy)silane
CID 554567
1-Triisopropylsilyloxy-3-phenylpropane
CID 619294
9-[Tert-butyl(diphenyl)silyl]oxynonan-1-ol
CID 14940128
tert-butyl-[(2R)-hept-6-en-2-yl]oxy-diphenylsilane
CID 44178593

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-ylmethoxy-heptoxy-diphenylsilane?
The IUPAC name of cyclohex-3-en-1-ylmethoxy-heptoxy-diphenylsilane (CID 91700506) is cyclohex-3-en-1-ylmethoxy-heptoxy-diphenylsilane.
What is the SMILES notation for cyclohex-3-en-1-ylmethoxy-heptoxy-diphenylsilane?
The canonical SMILES for cyclohex-3-en-1-ylmethoxy-heptoxy-diphenylsilane is CCCCCCCO[Si](OCC1CC=CCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of cyclohex-3-en-1-ylmethoxy-heptoxy-diphenylsilane?
The InChIKey is IQINPJVUPYSGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O2Si/c1-2-3-4-5-15-22-27-29(25-18-11-7-12-19-25,26-20-13-8-14-21-26)28-23-24-16-9-6-10-17-24/h6-9,11-14,18-21,24H,2-5,10,15-17,22-23H2,1H3.
What are the key properties of cyclohex-3-en-1-ylmethoxy-heptoxy-diphenylsilane?
cyclohex-3-en-1-ylmethoxy-heptoxy-diphenylsilane has a molecular weight of 408.66 g/mol, XLogP of 5.60, 12 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-heptoxy-diphenylsilane is sourced from PubChem (CID 91700506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).