tetrakis(hept-2-enyl) silicate

C28H52O4Si — CID 54139906

IUPACtetrakis(hept-2-enyl) silicate
SMILESCCCCC=CCO[Si](OCC=CCCCC)(OCC=CCCCC)OCC=CCCCC
InChIInChI=1S/C28H52O4Si/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h17-24H,5-16,25-28H2,1-4H3
InChIKeyOAJDERNWQKMWIN-UHFFFAOYSA-N
MW480.81 g/mol
LogP8.47
Rot. Bonds24

About tetrakis(hept-2-enyl) silicate

tetrakis(hept-2-enyl) silicate (PubChem CID 54139906) has the molecular formula C28H52O4Si and a molecular weight of 480.81 g/mol. Its IUPAC name is tetrakis(hept-2-enyl) silicate.

Molecular Properties

Compound Nametetrakis(hept-2-enyl) silicate
PubChem CID54139906
Molecular FormulaC28H52O4Si
Molecular Weight480.81 g/mol
Exact Mass480.36
IUPAC Nametetrakis(hept-2-enyl) silicate
SMILESCCCCC=CCO[Si](OCC=CCCCC)(OCC=CCCCC)OCC=CCCCC
InChIInChI=1S/C28H52O4Si/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h17-24H,5-16,25-28H2,1-4H3
InChIKeyOAJDERNWQKMWIN-UHFFFAOYSA-N
XLogP8.47
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.81
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

tetrakis(hex-2-enyl) silicate
CID 54207943
trimethyl-[(E)-undec-2-enoxy]silane
CID 5353184
[(E)-dodec-2-enoxy]-ethoxy-dimethylsilane
CID 91723218
[(E)-dodec-2-enoxy]-[ethoxy(dimethyl)silyl]oxy-dimethylsilane
CID 91727062
dec-5-ene;trihydrobromide
CID 175802238
dimethyl-propoxy-[(E)-undec-2-enoxy]silane
CID 91726222
hexadecoxy-dimethyl-[(E)-undec-2-enoxy]silane
CID 91743719
hexoxy-dimethyl-[(E)-undec-2-enoxy]silane
CID 91734985
nonadec-5-ene
CID 543596
(4E,9Z)-tetradeca-4,9-diene
CID 152732976
pentadeca-4,10-diene
CID 54306056
docos-5-ene
CID 54227700

Frequently Asked Questions

What is the IUPAC name of tetrakis(hept-2-enyl) silicate?
The IUPAC name of tetrakis(hept-2-enyl) silicate (CID 54139906) is tetrakis(hept-2-enyl) silicate.
What is the SMILES notation for tetrakis(hept-2-enyl) silicate?
The canonical SMILES for tetrakis(hept-2-enyl) silicate is CCCCC=CCO[Si](OCC=CCCCC)(OCC=CCCCC)OCC=CCCCC.
What is the InChIKey of tetrakis(hept-2-enyl) silicate?
The InChIKey is OAJDERNWQKMWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52O4Si/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h17-24H,5-16,25-28H2,1-4H3.
What are the key properties of tetrakis(hept-2-enyl) silicate?
tetrakis(hept-2-enyl) silicate has a molecular weight of 480.81 g/mol, XLogP of 8.47, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(hept-2-enyl) silicate is sourced from PubChem (CID 54139906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).