CID 22913919

C25H39ClFOSi — CID 22913919

IUPAC—
SMILESCCC[Si]1CCC(C2CCC(CCCCc3ccc(Cl)cc3OCF)CC2)CC1
InChIInChI=1S/C25H39ClFOSi/c1-2-15-29-16-13-22(14-17-29)21-9-7-20(8-10-21)5-3-4-6-23-11-12-24(26)18-25(23)28-19-27/h11-12,18,20-22H,2-10,13-17,19H2,1H3
InChIKeyBMXWITKCHNSGMV-UHFFFAOYSA-N
MW438.12 g/mol
LogP8.48
Rot. Bonds10

About CID 22913919

CID 22913919 (PubChem CID 22913919) has the molecular formula C25H39ClFOSi and a molecular weight of 438.12 g/mol.

Molecular Properties

Compound NameCID 22913919
PubChem CID22913919
Molecular FormulaC25H39ClFOSi
Molecular Weight438.12 g/mol
Exact Mass437.24
IUPAC Name—
SMILESCCC[Si]1CCC(C2CCC(CCCCc3ccc(Cl)cc3OCF)CC2)CC1
InChIInChI=1S/C25H39ClFOSi/c1-2-15-29-16-13-22(14-17-29)21-9-7-20(8-10-21)5-3-4-6-23-11-12-24(26)18-25(23)28-19-27/h11-12,18,20-22H,2-10,13-17,19H2,1H3
InChIKeyBMXWITKCHNSGMV-UHFFFAOYSA-N
XLogP8.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.12
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of CID 22913919?
The IUPAC name of CID 22913919 (CID 22913919) is not available.
What is the SMILES notation for CID 22913919?
The canonical SMILES for CID 22913919 is CCC[Si]1CCC(C2CCC(CCCCc3ccc(Cl)cc3OCF)CC2)CC1.
What is the InChIKey of CID 22913919?
The InChIKey is BMXWITKCHNSGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39ClFOSi/c1-2-15-29-16-13-22(14-17-29)21-9-7-20(8-10-21)5-3-4-6-23-11-12-24(26)18-25(23)28-19-27/h11-12,18,20-22H,2-10,13-17,19H2,1H3.
What are the key properties of CID 22913919?
CID 22913919 has a molecular weight of 438.12 g/mol, XLogP of 8.48, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22913919 is sourced from PubChem (CID 22913919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).