CID 69229628

C21H26ClOSi — CID 69229628

IUPAC—
SMILESC=CCOc1c([Si](CCl)c2ccccc2)cc(C)cc1C(C)(C)C
InChIInChI=1S/C21H26ClOSi/c1-6-12-23-20-18(21(3,4)5)13-16(2)14-19(20)24(15-22)17-10-8-7-9-11-17/h6-11,13-14H,1,12,15H2,2-5H3
InChIKeyBXBDUOMQCIMSTK-UHFFFAOYSA-N
MW357.98 g/mol
LogP4.24
Rot. Bonds6

About CID 69229628

CID 69229628 (PubChem CID 69229628) has the molecular formula C21H26ClOSi and a molecular weight of 357.98 g/mol.

Molecular Properties

Compound NameCID 69229628
PubChem CID69229628
Molecular FormulaC21H26ClOSi
Molecular Weight357.98 g/mol
Exact Mass357.14
IUPAC Name—
SMILESC=CCOc1c([Si](CCl)c2ccccc2)cc(C)cc1C(C)(C)C
InChIInChI=1S/C21H26ClOSi/c1-6-12-23-20-18(21(3,4)5)13-16(2)14-19(20)24(15-22)17-10-8-7-9-11-17/h6-11,13-14H,1,12,15H2,2-5H3
InChIKeyBXBDUOMQCIMSTK-UHFFFAOYSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.98
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 69229628?
The IUPAC name of CID 69229628 (CID 69229628) is not available.
What is the SMILES notation for CID 69229628?
The canonical SMILES for CID 69229628 is C=CCOc1c([Si](CCl)c2ccccc2)cc(C)cc1C(C)(C)C.
What is the InChIKey of CID 69229628?
The InChIKey is BXBDUOMQCIMSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClOSi/c1-6-12-23-20-18(21(3,4)5)13-16(2)14-19(20)24(15-22)17-10-8-7-9-11-17/h6-11,13-14H,1,12,15H2,2-5H3.
What are the key properties of CID 69229628?
CID 69229628 has a molecular weight of 357.98 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69229628 is sourced from PubChem (CID 69229628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).