CID 143888632

C25H29FO2Si- — CID 143888632

IUPAC—
SMILESCCOc1ccc([Si-](C)(C)CCCc2ccc(F)c(Oc3ccccc3)c2)cc1
InChIInChI=1S/C25H29FO2Si/c1-4-27-21-13-15-23(16-14-21)29(2,3)18-8-9-20-12-17-24(26)25(19-20)28-22-10-6-5-7-11-22/h5-7,10-17,19H,4,8-9,18H2,1-3H3/q-1
InChIKeyDJXIIALERIHDQT-UHFFFAOYSA-N
MW408.59 g/mol
LogP6.56
Rot. Bonds9

About CID 143888632

CID 143888632 (PubChem CID 143888632) has the molecular formula C25H29FO2Si- and a molecular weight of 408.59 g/mol.

Molecular Properties

Compound NameCID 143888632
PubChem CID143888632
Molecular FormulaC25H29FO2Si-
Molecular Weight408.59 g/mol
Exact Mass408.19
IUPAC Name—
SMILESCCOc1ccc([Si-](C)(C)CCCc2ccc(F)c(Oc3ccccc3)c2)cc1
InChIInChI=1S/C25H29FO2Si/c1-4-27-21-13-15-23(16-14-21)29(2,3)18-8-9-20-12-17-24(26)25(19-20)28-22-10-6-5-7-11-22/h5-7,10-17,19H,4,8-9,18H2,1-3H3/q-1
InChIKeyDJXIIALERIHDQT-UHFFFAOYSA-N
XLogP6.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 143888632?
The IUPAC name of CID 143888632 (CID 143888632) is not available.
What is the SMILES notation for CID 143888632?
The canonical SMILES for CID 143888632 is CCOc1ccc([Si-](C)(C)CCCc2ccc(F)c(Oc3ccccc3)c2)cc1.
What is the InChIKey of CID 143888632?
The InChIKey is DJXIIALERIHDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FO2Si/c1-4-27-21-13-15-23(16-14-21)29(2,3)18-8-9-20-12-17-24(26)25(19-20)28-22-10-6-5-7-11-22/h5-7,10-17,19H,4,8-9,18H2,1-3H3/q-1.
What are the key properties of CID 143888632?
CID 143888632 has a molecular weight of 408.59 g/mol, XLogP of 6.56, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143888632 is sourced from PubChem (CID 143888632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).