(6E,9Z)-8-(4-chlorophenyl)-7-trimethylsilyl-8H-benzo[8]annulen-5-one

C21H21ClOSi — CID 122206566

IUPAC(6E,9Z)-8-(4-chlorophenyl)-7-trimethylsilyl-8H-benzo[8]annulen-5-one
SMILESC[Si](C)(C)/C1=C/C(=O)c2ccccc2/C=C\C1c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClOSi/c1-24(2,3)21-14-20(23)18-7-5-4-6-15(18)10-13-19(21)16-8-11-17(22)12-9-16/h4-14,19H,1-3H3/b13-10-,21-14+
InChIKeyPWRJQZRUYWOPIH-YBVHWPNFSA-N
MW352.94 g/mol
LogP6.14
Rot. Bonds2

About (6E,9Z)-8-(4-chlorophenyl)-7-trimethylsilyl-8H-benzo[8]annulen-5-one

(6E,9Z)-8-(4-chlorophenyl)-7-trimethylsilyl-8H-benzo[8]annulen-5-one (PubChem CID 122206566) has the molecular formula C21H21ClOSi and a molecular weight of 352.94 g/mol. Its IUPAC name is (6E,9Z)-8-(4-chlorophenyl)-7-trimethylsilyl-8H-benzo[8]annulen-5-one.

Molecular Properties

Compound Name(6E,9Z)-8-(4-chlorophenyl)-7-trimethylsilyl-8H-benzo[8]annulen-5-one
PubChem CID122206566
Molecular FormulaC21H21ClOSi
Molecular Weight352.94 g/mol
Exact Mass352.11
IUPAC Name(6E,9Z)-8-(4-chlorophenyl)-7-trimethylsilyl-8H-benzo[8]annulen-5-one
SMILESC[Si](C)(C)/C1=C/C(=O)c2ccccc2/C=C\C1c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClOSi/c1-24(2,3)21-14-20(23)18-7-5-4-6-15(18)10-13-19(21)16-8-11-17(22)12-9-16/h4-14,19H,1-3H3/b13-10-,21-14+
InChIKeyPWRJQZRUYWOPIH-YBVHWPNFSA-N
XLogP6.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.94
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (6E,9Z)-8-(4-chlorophenyl)-7-trimethylsilyl-8H-benzo[8]annulen-5-one?
The IUPAC name of (6E,9Z)-8-(4-chlorophenyl)-7-trimethylsilyl-8H-benzo[8]annulen-5-one (CID 122206566) is (6E,9Z)-8-(4-chlorophenyl)-7-trimethylsilyl-8H-benzo[8]annulen-5-one.
What is the SMILES notation for (6E,9Z)-8-(4-chlorophenyl)-7-trimethylsilyl-8H-benzo[8]annulen-5-one?
The canonical SMILES for (6E,9Z)-8-(4-chlorophenyl)-7-trimethylsilyl-8H-benzo[8]annulen-5-one is C[Si](C)(C)/C1=C/C(=O)c2ccccc2/C=C\C1c1ccc(Cl)cc1.
What is the InChIKey of (6E,9Z)-8-(4-chlorophenyl)-7-trimethylsilyl-8H-benzo[8]annulen-5-one?
The InChIKey is PWRJQZRUYWOPIH-YBVHWPNFSA-N. The full InChI is InChI=1S/C21H21ClOSi/c1-24(2,3)21-14-20(23)18-7-5-4-6-15(18)10-13-19(21)16-8-11-17(22)12-9-16/h4-14,19H,1-3H3/b13-10-,21-14+.
What are the key properties of (6E,9Z)-8-(4-chlorophenyl)-7-trimethylsilyl-8H-benzo[8]annulen-5-one?
(6E,9Z)-8-(4-chlorophenyl)-7-trimethylsilyl-8H-benzo[8]annulen-5-one has a molecular weight of 352.94 g/mol, XLogP of 6.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,9Z)-8-(4-chlorophenyl)-7-trimethylsilyl-8H-benzo[8]annulen-5-one is sourced from PubChem (CID 122206566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).