CID 67579530

C24H37F2Si — CID 67579530

IUPAC—
SMILESCCCCCC1CCC(CCC2CC[Si](c3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C24H37F2Si/c1-2-3-4-5-19-6-8-20(9-7-19)10-11-21-14-16-27(17-15-21)22-12-13-23(25)24(26)18-22/h12-13,18-21H,2-11,14-17H2,1H3
InChIKeyABTRFBWJHYDMPH-UHFFFAOYSA-N
MW391.64 g/mol
LogP7.24
Rot. Bonds8

About CID 67579530

CID 67579530 (PubChem CID 67579530) has the molecular formula C24H37F2Si and a molecular weight of 391.64 g/mol.

Molecular Properties

Compound NameCID 67579530
PubChem CID67579530
Molecular FormulaC24H37F2Si
Molecular Weight391.64 g/mol
Exact Mass391.26
IUPAC Name—
SMILESCCCCCC1CCC(CCC2CC[Si](c3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C24H37F2Si/c1-2-3-4-5-19-6-8-20(9-7-19)10-11-21-14-16-27(17-15-21)22-12-13-23(25)24(26)18-22/h12-13,18-21H,2-11,14-17H2,1H3
InChIKeyABTRFBWJHYDMPH-UHFFFAOYSA-N
XLogP7.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.64
LogP ≤ 57.24
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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Related Compounds

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4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,2-difluorobenzene
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4-[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
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Frequently Asked Questions

What is the IUPAC name of CID 67579530?
The IUPAC name of CID 67579530 (CID 67579530) is not available.
What is the SMILES notation for CID 67579530?
The canonical SMILES for CID 67579530 is CCCCCC1CCC(CCC2CC[Si](c3ccc(F)c(F)c3)CC2)CC1.
What is the InChIKey of CID 67579530?
The InChIKey is ABTRFBWJHYDMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37F2Si/c1-2-3-4-5-19-6-8-20(9-7-19)10-11-21-14-16-27(17-15-21)22-12-13-23(25)24(26)18-22/h12-13,18-21H,2-11,14-17H2,1H3.
What are the key properties of CID 67579530?
CID 67579530 has a molecular weight of 391.64 g/mol, XLogP of 7.24, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67579530 is sourced from PubChem (CID 67579530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).