2-(3-methoxyphenyl)-1,1-dimethyl-3-prop-2-enyl-1-benzosilole

C20H22OSi — CID 102393106

IUPAC2-(3-methoxyphenyl)-1,1-dimethyl-3-prop-2-enyl-1-benzosilole
SMILESC=CCC1=C(c2cccc(OC)c2)[Si](C)(C)c2ccccc21
InChIInChI=1S/C20H22OSi/c1-5-9-18-17-12-6-7-13-19(17)22(3,4)20(18)15-10-8-11-16(14-15)21-2/h5-8,10-14H,1,9H2,2-4H3
InChIKeyITQHCCXPIBTYJP-UHFFFAOYSA-N
MW306.48 g/mol
LogP4.65
Rot. Bonds4

About 2-(3-methoxyphenyl)-1,1-dimethyl-3-prop-2-enyl-1-benzosilole

2-(3-methoxyphenyl)-1,1-dimethyl-3-prop-2-enyl-1-benzosilole (PubChem CID 102393106) has the molecular formula C20H22OSi and a molecular weight of 306.48 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1,1-dimethyl-3-prop-2-enyl-1-benzosilole.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1,1-dimethyl-3-prop-2-enyl-1-benzosilole
PubChem CID102393106
Molecular FormulaC20H22OSi
Molecular Weight306.48 g/mol
Exact Mass306.14
IUPAC Name2-(3-methoxyphenyl)-1,1-dimethyl-3-prop-2-enyl-1-benzosilole
SMILESC=CCC1=C(c2cccc(OC)c2)[Si](C)(C)c2ccccc21
InChIInChI=1S/C20H22OSi/c1-5-9-18-17-12-6-7-13-19(17)22(3,4)20(18)15-10-8-11-16(14-15)21-2/h5-8,10-14H,1,9H2,2-4H3
InChIKeyITQHCCXPIBTYJP-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1,1-dimethyl-3-prop-2-enyl-1-benzosilole?
The IUPAC name of 2-(3-methoxyphenyl)-1,1-dimethyl-3-prop-2-enyl-1-benzosilole (CID 102393106) is 2-(3-methoxyphenyl)-1,1-dimethyl-3-prop-2-enyl-1-benzosilole.
What is the SMILES notation for 2-(3-methoxyphenyl)-1,1-dimethyl-3-prop-2-enyl-1-benzosilole?
The canonical SMILES for 2-(3-methoxyphenyl)-1,1-dimethyl-3-prop-2-enyl-1-benzosilole is C=CCC1=C(c2cccc(OC)c2)[Si](C)(C)c2ccccc21.
What is the InChIKey of 2-(3-methoxyphenyl)-1,1-dimethyl-3-prop-2-enyl-1-benzosilole?
The InChIKey is ITQHCCXPIBTYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22OSi/c1-5-9-18-17-12-6-7-13-19(17)22(3,4)20(18)15-10-8-11-16(14-15)21-2/h5-8,10-14H,1,9H2,2-4H3.
What are the key properties of 2-(3-methoxyphenyl)-1,1-dimethyl-3-prop-2-enyl-1-benzosilole?
2-(3-methoxyphenyl)-1,1-dimethyl-3-prop-2-enyl-1-benzosilole has a molecular weight of 306.48 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1,1-dimethyl-3-prop-2-enyl-1-benzosilole is sourced from PubChem (CID 102393106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).