CID 19904535

C21H33ClSi — CID 19904535

IUPAC—
SMILESC=CCCCCCCCCCCCCCc1ccccc1[Si]Cl
InChIInChI=1S/C21H33ClSi/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-18-15-16-19-21(20)23-22/h2,15-16,18-19H,1,3-14,17H2
InChIKeyFAATYYNSJUOKLV-UHFFFAOYSA-N
MW349.03 g/mol
LogP6.58
Rot. Bonds15

About CID 19904535

CID 19904535 (PubChem CID 19904535) has the molecular formula C21H33ClSi and a molecular weight of 349.03 g/mol.

Molecular Properties

Compound NameCID 19904535
PubChem CID19904535
Molecular FormulaC21H33ClSi
Molecular Weight349.03 g/mol
Exact Mass348.20
IUPAC Name—
SMILESC=CCCCCCCCCCCCCCc1ccccc1[Si]Cl
InChIInChI=1S/C21H33ClSi/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-18-15-16-19-21(20)23-22/h2,15-16,18-19H,1,3-14,17H2
InChIKeyFAATYYNSJUOKLV-UHFFFAOYSA-N
XLogP6.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.03
LogP ≤ 56.58
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 19904535?
The IUPAC name of CID 19904535 (CID 19904535) is not available.
What is the SMILES notation for CID 19904535?
The canonical SMILES for CID 19904535 is C=CCCCCCCCCCCCCCc1ccccc1[Si]Cl.
What is the InChIKey of CID 19904535?
The InChIKey is FAATYYNSJUOKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33ClSi/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-18-15-16-19-21(20)23-22/h2,15-16,18-19H,1,3-14,17H2.
What are the key properties of CID 19904535?
CID 19904535 has a molecular weight of 349.03 g/mol, XLogP of 6.58, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19904535 is sourced from PubChem (CID 19904535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).