tetrakis(but-3-enyl) silicate;tetrakis(4-prop-2-enylhept-6-enyl) silicate;tetrakis(prop-2-enyl) silicate

C68H116O12Si3 — CID 158218010

IUPACtetrakis(but-3-enyl) silicate;tetrakis(4-prop-2-enylhept-6-enyl) silicate;tetrakis(prop-2-enyl) silicate
SMILESC=CCC(CC=C)CCCO[Si](OCCCC(CC=C)CC=C)(OCCCC(CC=C)CC=C)OCCCC(CC=C)CC=C.C=CCCO[Si](OCCC=C)(OCCC=C)OCCC=C.C=CCO[Si](OCC=C)(OCC=C)OCC=C
InChIInChI=1S/C40H68O4Si.C16H28O4Si.C12H20O4Si/c1-9-21-37(22-10-2)29-17-33-41-45(42-34-18-30-38(23-11-3)24-12-4,43-35-19-31-39(25-13-5)26-14-6)44-36-20-32-40(27-15-7)28-16-8;1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h9-16,37-40H,1-8,17-36H2;5-8H,1-4,9-16H2;5-8H,1-4,9-12H2
InChIKeyGCWZRMLGANLSME-UHFFFAOYSA-N
MW1209.92 g/mol
LogP17.71
Rot. Bonds64

About tetrakis(but-3-enyl) silicate;tetrakis(4-prop-2-enylhept-6-enyl) silicate;tetrakis(prop-2-enyl) silicate

tetrakis(but-3-enyl) silicate;tetrakis(4-prop-2-enylhept-6-enyl) silicate;tetrakis(prop-2-enyl) silicate (PubChem CID 158218010) has the molecular formula C68H116O12Si3 and a molecular weight of 1209.92 g/mol. Its IUPAC name is tetrakis(but-3-enyl) silicate;tetrakis(4-prop-2-enylhept-6-enyl) silicate;tetrakis(prop-2-enyl) silicate.

Molecular Properties

Compound Nametetrakis(but-3-enyl) silicate;tetrakis(4-prop-2-enylhept-6-enyl) silicate;tetrakis(prop-2-enyl) silicate
PubChem CID158218010
Molecular FormulaC68H116O12Si3
Molecular Weight1209.92 g/mol
Exact Mass1208.78
IUPAC Nametetrakis(but-3-enyl) silicate;tetrakis(4-prop-2-enylhept-6-enyl) silicate;tetrakis(prop-2-enyl) silicate
SMILESC=CCC(CC=C)CCCO[Si](OCCCC(CC=C)CC=C)(OCCCC(CC=C)CC=C)OCCCC(CC=C)CC=C.C=CCCO[Si](OCCC=C)(OCCC=C)OCCC=C.C=CCO[Si](OCC=C)(OCC=C)OCC=C
InChIInChI=1S/C40H68O4Si.C16H28O4Si.C12H20O4Si/c1-9-21-37(22-10-2)29-17-33-41-45(42-34-18-30-38(23-11-3)24-12-4,43-35-19-31-39(25-13-5)26-14-6)44-36-20-32-40(27-15-7)28-16-8;1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h9-16,37-40H,1-8,17-36H2;5-8H,1-4,9-16H2;5-8H,1-4,9-12H2
InChIKeyGCWZRMLGANLSME-UHFFFAOYSA-N
XLogP17.71
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds64
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001209.92
LogP ≤ 517.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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-5-enyl) silicate
CID 123168429
tetrakis[3-[methyl-bis[3-[methyl-bis(prop-2-enoxy)silyl]propoxy]silyl]propyl] silicate
CID 15448112
5-prop-2-enylnona-1,8-diene
CID 54537373
trimethyl(2-prop-2-enylhex-5-enoxy)silane
CID 140648151
4-prop-2-enylhept-6-en-1-amine;hydrochloride
CID 87790253
3-chloropropyl diethoxy prop-2-enyl silicate
CID 174682643
diethyl bis(prop-2-enyl) silicate
CID 18764501
trimethyl oct-7-enyl silicate
CID 154097389
4-prop-2-enylpentadec-1-ene
CID 54427529
dimethyl(16-prop-2-enylnonadec-18-enyl)azanium chloride
CID 176548864
but-3-enoxy-dimethyl-nonoxysilane
CID 91736688
N-methyl-4-prop-2-enylhept-6-en-1-amine;hydrobromide
CID 173358524

Frequently Asked Questions

What is the IUPAC name of tetrakis(but-3-enyl) silicate;tetrakis(4-prop-2-enylhept-6-enyl) silicate;tetrakis(prop-2-enyl) silicate?
The IUPAC name of tetrakis(but-3-enyl) silicate;tetrakis(4-prop-2-enylhept-6-enyl) silicate;tetrakis(prop-2-enyl) silicate (CID 158218010) is tetrakis(but-3-enyl) silicate;tetrakis(4-prop-2-enylhept-6-enyl) silicate;tetrakis(prop-2-enyl) silicate.
What is the SMILES notation for tetrakis(but-3-enyl) silicate;tetrakis(4-prop-2-enylhept-6-enyl) silicate;tetrakis(prop-2-enyl) silicate?
The canonical SMILES for tetrakis(but-3-enyl) silicate;tetrakis(4-prop-2-enylhept-6-enyl) silicate;tetrakis(prop-2-enyl) silicate is C=CCC(CC=C)CCCO[Si](OCCCC(CC=C)CC=C)(OCCCC(CC=C)CC=C)OCCCC(CC=C)CC=C.C=CCCO[Si](OCCC=C)(OCCC=C)OCCC=C.C=CCO[Si](OCC=C)(OCC=C)OCC=C.
What is the InChIKey of tetrakis(but-3-enyl) silicate;tetrakis(4-prop-2-enylhept-6-enyl) silicate;tetrakis(prop-2-enyl) silicate?
The InChIKey is GCWZRMLGANLSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H68O4Si.C16H28O4Si.C12H20O4Si/c1-9-21-37(22-10-2)29-17-33-41-45(42-34-18-30-38(23-11-3)24-12-4,43-35-19-31-39(25-13-5)26-14-6)44-36-20-32-40(27-15-7)28-16-8;1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h9-16,37-40H,1-8,17-36H2;5-8H,1-4,9-16H2;5-8H,1-4,9-12H2.
What are the key properties of tetrakis(but-3-enyl) silicate;tetrakis(4-prop-2-enylhept-6-enyl) silicate;tetrakis(prop-2-enyl) silicate?
tetrakis(but-3-enyl) silicate;tetrakis(4-prop-2-enylhept-6-enyl) silicate;tetrakis(prop-2-enyl) silicate has a molecular weight of 1209.92 g/mol, XLogP of 17.71, 64 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(but-3-enyl) silicate;tetrakis(4-prop-2-enylhept-6-enyl) silicate;tetrakis(prop-2-enyl) silicate is sourced from PubChem (CID 158218010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).