CID 21470316

C22H34ClSi — CID 21470316

IUPAC—
SMILESCCCCC[Si]1CCC(C2CCC(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C22H34ClSi/c1-2-3-4-15-24-16-13-21(14-17-24)19-7-5-18(6-8-19)20-9-11-22(23)12-10-20/h9-12,18-19,21H,2-8,13-17H2,1H3
InChIKeyKGUBGDQNEWWFNE-UHFFFAOYSA-N
MW362.05 g/mol
LogP7.71
Rot. Bonds6

About CID 21470316

CID 21470316 (PubChem CID 21470316) has the molecular formula C22H34ClSi and a molecular weight of 362.05 g/mol.

Molecular Properties

Compound NameCID 21470316
PubChem CID21470316
Molecular FormulaC22H34ClSi
Molecular Weight362.05 g/mol
Exact Mass361.21
IUPAC Name—
SMILESCCCCC[Si]1CCC(C2CCC(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C22H34ClSi/c1-2-3-4-15-24-16-13-21(14-17-24)19-7-5-18(6-8-19)20-9-11-22(23)12-10-20/h9-12,18-19,21H,2-8,13-17H2,1H3
InChIKeyKGUBGDQNEWWFNE-UHFFFAOYSA-N
XLogP7.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.05
LogP ≤ 57.71
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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Frequently Asked Questions

What is the IUPAC name of CID 21470316?
The IUPAC name of CID 21470316 (CID 21470316) is not available.
What is the SMILES notation for CID 21470316?
The canonical SMILES for CID 21470316 is CCCCC[Si]1CCC(C2CCC(c3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of CID 21470316?
The InChIKey is KGUBGDQNEWWFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34ClSi/c1-2-3-4-15-24-16-13-21(14-17-24)19-7-5-18(6-8-19)20-9-11-22(23)12-10-20/h9-12,18-19,21H,2-8,13-17H2,1H3.
What are the key properties of CID 21470316?
CID 21470316 has a molecular weight of 362.05 g/mol, XLogP of 7.71, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21470316 is sourced from PubChem (CID 21470316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).