cyclohex-3-en-1-ylmethoxy-diphenyl-undecoxysilane

C30H44O2Si — CID 91700509

IUPACcyclohex-3-en-1-ylmethoxy-diphenyl-undecoxysilane
SMILESCCCCCCCCCCCO[Si](OCC1CC=CCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H44O2Si/c1-2-3-4-5-6-7-8-9-19-26-31-33(29-22-15-11-16-23-29,30-24-17-12-18-25-30)32-27-28-20-13-10-14-21-28/h10-13,15-18,22-25,28H,2-9,14,19-21,26-27H2,1H3
InChIKeyDPYJGTZVVVXNSS-UHFFFAOYSA-N
MW464.77 g/mol
LogP7.16
Rot. Bonds16

About cyclohex-3-en-1-ylmethoxy-diphenyl-undecoxysilane

cyclohex-3-en-1-ylmethoxy-diphenyl-undecoxysilane (PubChem CID 91700509) has the molecular formula C30H44O2Si and a molecular weight of 464.77 g/mol. Its IUPAC name is cyclohex-3-en-1-ylmethoxy-diphenyl-undecoxysilane.

Molecular Properties

Compound Namecyclohex-3-en-1-ylmethoxy-diphenyl-undecoxysilane
PubChem CID91700509
Molecular FormulaC30H44O2Si
Molecular Weight464.77 g/mol
Exact Mass464.31
IUPAC Namecyclohex-3-en-1-ylmethoxy-diphenyl-undecoxysilane
SMILESCCCCCCCCCCCO[Si](OCC1CC=CCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H44O2Si/c1-2-3-4-5-6-7-8-9-19-26-31-33(29-22-15-11-16-23-29,30-24-17-12-18-25-30)32-27-28-20-13-10-14-21-28/h10-13,15-18,22-25,28H,2-9,14,19-21,26-27H2,1H3
InChIKeyDPYJGTZVVVXNSS-UHFFFAOYSA-N
XLogP7.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.77
LogP ≤ 57.16
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-diphenyl-undecoxysilane?
The IUPAC name of cyclohex-3-en-1-ylmethoxy-diphenyl-undecoxysilane (CID 91700509) is cyclohex-3-en-1-ylmethoxy-diphenyl-undecoxysilane.
What is the SMILES notation for cyclohex-3-en-1-ylmethoxy-diphenyl-undecoxysilane?
The canonical SMILES for cyclohex-3-en-1-ylmethoxy-diphenyl-undecoxysilane is CCCCCCCCCCCO[Si](OCC1CC=CCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of cyclohex-3-en-1-ylmethoxy-diphenyl-undecoxysilane?
The InChIKey is DPYJGTZVVVXNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44O2Si/c1-2-3-4-5-6-7-8-9-19-26-31-33(29-22-15-11-16-23-29,30-24-17-12-18-25-30)32-27-28-20-13-10-14-21-28/h10-13,15-18,22-25,28H,2-9,14,19-21,26-27H2,1H3.
What are the key properties of cyclohex-3-en-1-ylmethoxy-diphenyl-undecoxysilane?
cyclohex-3-en-1-ylmethoxy-diphenyl-undecoxysilane has a molecular weight of 464.77 g/mol, XLogP of 7.16, 16 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-diphenyl-undecoxysilane is sourced from PubChem (CID 91700509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).