1,1,2,3-tetrakis-decyl-4,5-dimethylsilole

C46H90Si — CID 70230699

IUPAC1,1,2,3-tetrakis-decyl-4,5-dimethylsilole
SMILESCCCCCCCCCCC1=C(CCCCCCCCCC)[Si](CCCCCCCCCC)(CCCCCCCCCC)C(C)=C1C
InChIInChI=1S/C46H90Si/c1-7-11-15-19-23-27-31-35-39-45-43(5)44(6)47(41-37-33-29-25-21-17-13-9-3,42-38-34-30-26-22-18-14-10-4)46(45)40-36-32-28-24-20-16-12-8-2/h7-42H2,1-6H3
InChIKeyZVZQBDRBIHQXGJ-UHFFFAOYSA-N
MW671.31 g/mol
LogP17.50
Rot. Bonds36

About 1,1,2,3-tetrakis-decyl-4,5-dimethylsilole

1,1,2,3-tetrakis-decyl-4,5-dimethylsilole (PubChem CID 70230699) has the molecular formula C46H90Si and a molecular weight of 671.31 g/mol. Its IUPAC name is 1,1,2,3-tetrakis-decyl-4,5-dimethylsilole.

Molecular Properties

Compound Name1,1,2,3-tetrakis-decyl-4,5-dimethylsilole
PubChem CID70230699
Molecular FormulaC46H90Si
Molecular Weight671.31 g/mol
Exact Mass670.68
IUPAC Name1,1,2,3-tetrakis-decyl-4,5-dimethylsilole
SMILESCCCCCCCCCCC1=C(CCCCCCCCCC)[Si](CCCCCCCCCC)(CCCCCCCCCC)C(C)=C1C
InChIInChI=1S/C46H90Si/c1-7-11-15-19-23-27-31-35-39-45-43(5)44(6)47(41-37-33-29-25-21-17-13-9-3,42-38-34-30-26-22-18-14-10-4)46(45)40-36-32-28-24-20-16-12-8-2/h7-42H2,1-6H3
InChIKeyZVZQBDRBIHQXGJ-UHFFFAOYSA-N
XLogP17.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds36
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.31
LogP ≤ 517.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3-tetrakis-decyl-4,5-dimethylsilole?
The IUPAC name of 1,1,2,3-tetrakis-decyl-4,5-dimethylsilole (CID 70230699) is 1,1,2,3-tetrakis-decyl-4,5-dimethylsilole.
What is the SMILES notation for 1,1,2,3-tetrakis-decyl-4,5-dimethylsilole?
The canonical SMILES for 1,1,2,3-tetrakis-decyl-4,5-dimethylsilole is CCCCCCCCCCC1=C(CCCCCCCCCC)[Si](CCCCCCCCCC)(CCCCCCCCCC)C(C)=C1C.
What is the InChIKey of 1,1,2,3-tetrakis-decyl-4,5-dimethylsilole?
The InChIKey is ZVZQBDRBIHQXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H90Si/c1-7-11-15-19-23-27-31-35-39-45-43(5)44(6)47(41-37-33-29-25-21-17-13-9-3,42-38-34-30-26-22-18-14-10-4)46(45)40-36-32-28-24-20-16-12-8-2/h7-42H2,1-6H3.
What are the key properties of 1,1,2,3-tetrakis-decyl-4,5-dimethylsilole?
1,1,2,3-tetrakis-decyl-4,5-dimethylsilole has a molecular weight of 671.31 g/mol, XLogP of 17.50, 36 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3-tetrakis-decyl-4,5-dimethylsilole is sourced from PubChem (CID 70230699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).