cyclohex-3-en-1-ylmethoxy-hexoxy-diphenylsilane

C25H34O2Si — CID 91700505

IUPACcyclohex-3-en-1-ylmethoxy-hexoxy-diphenylsilane
SMILESCCCCCCO[Si](OCC1CC=CCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H34O2Si/c1-2-3-4-14-21-26-28(24-17-10-6-11-18-24,25-19-12-7-13-20-25)27-22-23-15-8-5-9-16-23/h5-8,10-13,17-20,23H,2-4,9,14-16,21-22H2,1H3
InChIKeyOINAWIAIOPFXII-UHFFFAOYSA-N
MW394.63 g/mol
LogP5.21
Rot. Bonds11

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

cyclohex-3-en-1-ylmethoxy-hexoxy-diphenylsilane (PubChem CID 91700505) has the molecular formula C25H34O2Si and a molecular weight of 394.63 g/mol. Its IUPAC name is cyclohex-3-en-1-ylmethoxy-hexoxy-diphenylsilane.

Molecular Properties

Compound Namecyclohex-3-en-1-ylmethoxy-hexoxy-diphenylsilane
PubChem CID91700505
Molecular FormulaC25H34O2Si
Molecular Weight394.63 g/mol
Exact Mass394.23
IUPAC Namecyclohex-3-en-1-ylmethoxy-hexoxy-diphenylsilane
SMILESCCCCCCO[Si](OCC1CC=CCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H34O2Si/c1-2-3-4-14-21-26-28(24-17-10-6-11-18-24,25-19-12-7-13-20-25)27-22-23-15-8-5-9-16-23/h5-8,10-13,17-20,23H,2-4,9,14-16,21-22H2,1H3
InChIKeyOINAWIAIOPFXII-UHFFFAOYSA-N
XLogP5.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.63
LogP ≤ 55.21
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

Diphenyldiethoxysilane
CID 75705
(Ethoxy)[tri(O-tolyl)]silane
CID 3476217
Dimethoxydi-p-tolylsilane
CID 11821755
Tert-butyl-cyclohexyloxy-diphenylsilane
CID 12619131
Diphenyl-dipropoxy-silane
CID 14324871
Diphenylmethyl(norbornenemethoxy)silane
CID 23448607
6-((tert-Butyldiphenylsilyl)oxy)hexan-1-ol
CID 11013734
tert-Butyl(hexyloxy)diphenylsilane
CID 11338517
(R)-4-(tert-Butyldiphenylsilyloxy)-3-methyl-1-butanol
CID 23727941
Tert-butyl-(4,4-difluoro-2-methylbutoxy)-diphenylsilane
CID 176438012
Dibutoxy(diphenyl)silane
CID 13637536
t-Butyl-(3-methylbut-3-enyloxy)diphenylsilane
CID 605219

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-ylmethoxy-hexoxy-diphenylsilane?
The IUPAC name of cyclohex-3-en-1-ylmethoxy-hexoxy-diphenylsilane (CID 91700505) is cyclohex-3-en-1-ylmethoxy-hexoxy-diphenylsilane.
What is the SMILES notation for cyclohex-3-en-1-ylmethoxy-hexoxy-diphenylsilane?
The canonical SMILES for cyclohex-3-en-1-ylmethoxy-hexoxy-diphenylsilane is CCCCCCO[Si](OCC1CC=CCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of cyclohex-3-en-1-ylmethoxy-hexoxy-diphenylsilane?
The InChIKey is OINAWIAIOPFXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O2Si/c1-2-3-4-14-21-26-28(24-17-10-6-11-18-24,25-19-12-7-13-20-25)27-22-23-15-8-5-9-16-23/h5-8,10-13,17-20,23H,2-4,9,14-16,21-22H2,1H3.
What are the key properties of cyclohex-3-en-1-ylmethoxy-hexoxy-diphenylsilane?
cyclohex-3-en-1-ylmethoxy-hexoxy-diphenylsilane has a molecular weight of 394.63 g/mol, XLogP of 5.21, 11 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-hexoxy-diphenylsilane is sourced from PubChem (CID 91700505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).