cyclohex-3-en-1-ylmethoxy-diphenyl-tetradecoxysilane

C33H50O2Si — CID 91700511

IUPACcyclohex-3-en-1-ylmethoxy-diphenyl-tetradecoxysilane
SMILESCCCCCCCCCCCCCCO[Si](OCC1CC=CCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H50O2Si/c1-2-3-4-5-6-7-8-9-10-11-12-22-29-34-36(32-25-18-14-19-26-32,33-27-20-15-21-28-33)35-30-31-23-16-13-17-24-31/h13-16,18-21,25-28,31H,2-12,17,22-24,29-30H2,1H3
InChIKeyPPQYXXAOBMHRFR-UHFFFAOYSA-N
MW506.85 g/mol
LogP8.33
Rot. Bonds19

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

cyclohex-3-en-1-ylmethoxy-diphenyl-tetradecoxysilane (PubChem CID 91700511) has the molecular formula C33H50O2Si and a molecular weight of 506.85 g/mol. Its IUPAC name is cyclohex-3-en-1-ylmethoxy-diphenyl-tetradecoxysilane.

Molecular Properties

Compound Namecyclohex-3-en-1-ylmethoxy-diphenyl-tetradecoxysilane
PubChem CID91700511
Molecular FormulaC33H50O2Si
Molecular Weight506.85 g/mol
Exact Mass506.36
IUPAC Namecyclohex-3-en-1-ylmethoxy-diphenyl-tetradecoxysilane
SMILESCCCCCCCCCCCCCCO[Si](OCC1CC=CCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H50O2Si/c1-2-3-4-5-6-7-8-9-10-11-12-22-29-34-36(32-25-18-14-19-26-32,33-27-20-15-21-28-33)35-30-31-23-16-13-17-24-31/h13-16,18-21,25-28,31H,2-12,17,22-24,29-30H2,1H3
InChIKeyPPQYXXAOBMHRFR-UHFFFAOYSA-N
XLogP8.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.85
LogP ≤ 58.33
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-tetradecoxysilane?
The IUPAC name of cyclohex-3-en-1-ylmethoxy-diphenyl-tetradecoxysilane (CID 91700511) is cyclohex-3-en-1-ylmethoxy-diphenyl-tetradecoxysilane.
What is the SMILES notation for cyclohex-3-en-1-ylmethoxy-diphenyl-tetradecoxysilane?
The canonical SMILES for cyclohex-3-en-1-ylmethoxy-diphenyl-tetradecoxysilane is CCCCCCCCCCCCCCO[Si](OCC1CC=CCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of cyclohex-3-en-1-ylmethoxy-diphenyl-tetradecoxysilane?
The InChIKey is PPQYXXAOBMHRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H50O2Si/c1-2-3-4-5-6-7-8-9-10-11-12-22-29-34-36(32-25-18-14-19-26-32,33-27-20-15-21-28-33)35-30-31-23-16-13-17-24-31/h13-16,18-21,25-28,31H,2-12,17,22-24,29-30H2,1H3.
What are the key properties of cyclohex-3-en-1-ylmethoxy-diphenyl-tetradecoxysilane?
cyclohex-3-en-1-ylmethoxy-diphenyl-tetradecoxysilane has a molecular weight of 506.85 g/mol, XLogP of 8.33, 19 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-tetradecoxysilane is sourced from PubChem (CID 91700511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).