cyclohex-3-en-1-ylmethoxy-diphenyl-tridecoxysilane

C32H48O2Si — CID 91700510

IUPACcyclohex-3-en-1-ylmethoxy-diphenyl-tridecoxysilane
SMILESCCCCCCCCCCCCCO[Si](OCC1CC=CCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H48O2Si/c1-2-3-4-5-6-7-8-9-10-11-21-28-33-35(31-24-17-13-18-25-31,32-26-19-14-20-27-32)34-29-30-22-15-12-16-23-30/h12-15,17-20,24-27,30H,2-11,16,21-23,28-29H2,1H3
InChIKeyKZDNZJWDGYRPMO-UHFFFAOYSA-N
MW492.82 g/mol
LogP7.94
Rot. Bonds18

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

cyclohex-3-en-1-ylmethoxy-diphenyl-tridecoxysilane (PubChem CID 91700510) has the molecular formula C32H48O2Si and a molecular weight of 492.82 g/mol. Its IUPAC name is cyclohex-3-en-1-ylmethoxy-diphenyl-tridecoxysilane.

Molecular Properties

Compound Namecyclohex-3-en-1-ylmethoxy-diphenyl-tridecoxysilane
PubChem CID91700510
Molecular FormulaC32H48O2Si
Molecular Weight492.82 g/mol
Exact Mass492.34
IUPAC Namecyclohex-3-en-1-ylmethoxy-diphenyl-tridecoxysilane
SMILESCCCCCCCCCCCCCO[Si](OCC1CC=CCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H48O2Si/c1-2-3-4-5-6-7-8-9-10-11-21-28-33-35(31-24-17-13-18-25-31,32-26-19-14-20-27-32)34-29-30-22-15-12-16-23-30/h12-15,17-20,24-27,30H,2-11,16,21-23,28-29H2,1H3
InChIKeyKZDNZJWDGYRPMO-UHFFFAOYSA-N
XLogP7.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.82
LogP ≤ 57.94
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

Diphenylmethyl(norbornenemethoxy)silane
CID 23448607
Tert-butyl-cycloheptyloxy-diphenylsilane
CID 90682026
tert-Butyl(hexyloxy)diphenylsilane
CID 11338517
Ditert-butyl(3-phenylpropoxy)silane
CID 554567
1-Triisopropylsilyloxy-3-phenylpropane
CID 619294
1-Di(tert-butyl)silyloxy-2-phenylethane
CID 6329257
9-[Tert-butyl(diphenyl)silyl]oxynonan-1-ol
CID 14940128
Silane, diphenyl(2-fluoroethoxy)octyloxy-
CID 91717507
Silane, diphenyl(2-fluoroethoxy)nonyloxy-
CID 91717508
Silane, diphenyl(2-fluoroethoxy)isohexyloxy-
CID 91717509
Silane, diphenyldecyloxy(2-fluoroethoxy)-
CID 91717512
Silane, diphenyldodecyloxy(2-fluoroethoxy)-
CID 91717513

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-ylmethoxy-diphenyl-tridecoxysilane?
The IUPAC name of cyclohex-3-en-1-ylmethoxy-diphenyl-tridecoxysilane (CID 91700510) is cyclohex-3-en-1-ylmethoxy-diphenyl-tridecoxysilane.
What is the SMILES notation for cyclohex-3-en-1-ylmethoxy-diphenyl-tridecoxysilane?
The canonical SMILES for cyclohex-3-en-1-ylmethoxy-diphenyl-tridecoxysilane is CCCCCCCCCCCCCO[Si](OCC1CC=CCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of cyclohex-3-en-1-ylmethoxy-diphenyl-tridecoxysilane?
The InChIKey is KZDNZJWDGYRPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48O2Si/c1-2-3-4-5-6-7-8-9-10-11-21-28-33-35(31-24-17-13-18-25-31,32-26-19-14-20-27-32)34-29-30-22-15-12-16-23-30/h12-15,17-20,24-27,30H,2-11,16,21-23,28-29H2,1H3.
What are the key properties of cyclohex-3-en-1-ylmethoxy-diphenyl-tridecoxysilane?
cyclohex-3-en-1-ylmethoxy-diphenyl-tridecoxysilane has a molecular weight of 492.82 g/mol, XLogP of 7.94, 18 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-tridecoxysilane is sourced from PubChem (CID 91700510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).