CID 91221221

C24H45Si — CID 91221221

IUPAC—
SMILESCCCCCC(C)=C[Si](C=C(C)CCCCC)C=C(C)CCCCC
InChIInChI=1S/C24H45Si/c1-7-10-13-16-22(4)19-25(20-23(5)17-14-11-8-2)21-24(6)18-15-12-9-3/h19-21H,7-18H2,1-6H3
InChIKeyKEALWYFRLBZFJT-UHFFFAOYSA-N
MW361.71 g/mol
LogP8.68
Rot. Bonds15

About CID 91221221

CID 91221221 (PubChem CID 91221221) has the molecular formula C24H45Si and a molecular weight of 361.71 g/mol.

Molecular Properties

Compound NameCID 91221221
PubChem CID91221221
Molecular FormulaC24H45Si
Molecular Weight361.71 g/mol
Exact Mass361.33
IUPAC Name—
SMILESCCCCCC(C)=C[Si](C=C(C)CCCCC)C=C(C)CCCCC
InChIInChI=1S/C24H45Si/c1-7-10-13-16-22(4)19-25(20-23(5)17-14-11-8-2)21-24(6)18-15-12-9-3/h19-21H,7-18H2,1-6H3
InChIKeyKEALWYFRLBZFJT-UHFFFAOYSA-N
XLogP8.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.71
LogP ≤ 58.68
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 CID 91221221?
The IUPAC name of CID 91221221 (CID 91221221) is not available.
What is the SMILES notation for CID 91221221?
The canonical SMILES for CID 91221221 is CCCCCC(C)=C[Si](C=C(C)CCCCC)C=C(C)CCCCC.
What is the InChIKey of CID 91221221?
The InChIKey is KEALWYFRLBZFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45Si/c1-7-10-13-16-22(4)19-25(20-23(5)17-14-11-8-2)21-24(6)18-15-12-9-3/h19-21H,7-18H2,1-6H3.
What are the key properties of CID 91221221?
CID 91221221 has a molecular weight of 361.71 g/mol, XLogP of 8.68, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91221221 is sourced from PubChem (CID 91221221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).