CID 19757569

C31H40FOSSi — CID 19757569

IUPAC—
SMILESCCCCCCc1ccc(-c2ccc(-c3ccc(OC(C)([Si])C(C)CCCCC)c(F)c3)s2)cc1
InChIInChI=1S/C31H40FOSSi/c1-5-7-9-11-13-24-14-16-25(17-15-24)29-20-21-30(34-29)26-18-19-28(27(32)22-26)33-31(4,35)23(3)12-10-8-6-2/h14-23H,5-13H2,1-4H3
InChIKeyHWLSEMGCIARKSF-UHFFFAOYSA-N
MW507.81 g/mol
LogP9.82
Rot. Bonds14

About CID 19757569

CID 19757569 (PubChem CID 19757569) has the molecular formula C31H40FOSSi and a molecular weight of 507.81 g/mol.

Molecular Properties

Compound NameCID 19757569
PubChem CID19757569
Molecular FormulaC31H40FOSSi
Molecular Weight507.81 g/mol
Exact Mass507.26
IUPAC Name—
SMILESCCCCCCc1ccc(-c2ccc(-c3ccc(OC(C)([Si])C(C)CCCCC)c(F)c3)s2)cc1
InChIInChI=1S/C31H40FOSSi/c1-5-7-9-11-13-24-14-16-25(17-15-24)29-20-21-30(34-29)26-18-19-28(27(32)22-26)33-31(4,35)23(3)12-10-8-6-2/h14-23H,5-13H2,1-4H3
InChIKeyHWLSEMGCIARKSF-UHFFFAOYSA-N
XLogP9.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.81
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 19757569?
The IUPAC name of CID 19757569 (CID 19757569) is not available.
What is the SMILES notation for CID 19757569?
The canonical SMILES for CID 19757569 is CCCCCCc1ccc(-c2ccc(-c3ccc(OC(C)([Si])C(C)CCCCC)c(F)c3)s2)cc1.
What is the InChIKey of CID 19757569?
The InChIKey is HWLSEMGCIARKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40FOSSi/c1-5-7-9-11-13-24-14-16-25(17-15-24)29-20-21-30(34-29)26-18-19-28(27(32)22-26)33-31(4,35)23(3)12-10-8-6-2/h14-23H,5-13H2,1-4H3.
What are the key properties of CID 19757569?
CID 19757569 has a molecular weight of 507.81 g/mol, XLogP of 9.82, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19757569 is sourced from PubChem (CID 19757569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).