trimethyl-[4-[2-(4-methylphenyl)phenyl]furan-3-yl]silane

C20H22OSi — CID 14977585

IUPACtrimethyl-[4-[2-(4-methylphenyl)phenyl]furan-3-yl]silane
SMILESCc1ccc(-c2ccccc2-c2cocc2[Si](C)(C)C)cc1
InChIInChI=1S/C20H22OSi/c1-15-9-11-16(12-10-15)17-7-5-6-8-18(17)19-13-21-14-20(19)22(2,3)4/h5-14H,1-4H3
InChIKeyISWTUURBZLMQKT-UHFFFAOYSA-N
MW306.48 g/mol
LogP5.47
Rot. Bonds3

About trimethyl-[4-[2-(4-methylphenyl)phenyl]furan-3-yl]silane

trimethyl-[4-[2-(4-methylphenyl)phenyl]furan-3-yl]silane (PubChem CID 14977585) has the molecular formula C20H22OSi and a molecular weight of 306.48 g/mol. Its IUPAC name is trimethyl-[4-[2-(4-methylphenyl)phenyl]furan-3-yl]silane.

Molecular Properties

Compound Nametrimethyl-[4-[2-(4-methylphenyl)phenyl]furan-3-yl]silane
PubChem CID14977585
Molecular FormulaC20H22OSi
Molecular Weight306.48 g/mol
Exact Mass306.14
IUPAC Nametrimethyl-[4-[2-(4-methylphenyl)phenyl]furan-3-yl]silane
SMILESCc1ccc(-c2ccccc2-c2cocc2[Si](C)(C)C)cc1
InChIInChI=1S/C20H22OSi/c1-15-9-11-16(12-10-15)17-7-5-6-8-18(17)19-13-21-14-20(19)22(2,3)4/h5-14H,1-4H3
InChIKeyISWTUURBZLMQKT-UHFFFAOYSA-N
XLogP5.47
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.48
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-[2-(4-methylphenyl)phenyl]furan-3-yl]silane?
The IUPAC name of trimethyl-[4-[2-(4-methylphenyl)phenyl]furan-3-yl]silane (CID 14977585) is trimethyl-[4-[2-(4-methylphenyl)phenyl]furan-3-yl]silane.
What is the SMILES notation for trimethyl-[4-[2-(4-methylphenyl)phenyl]furan-3-yl]silane?
The canonical SMILES for trimethyl-[4-[2-(4-methylphenyl)phenyl]furan-3-yl]silane is Cc1ccc(-c2ccccc2-c2cocc2[Si](C)(C)C)cc1.
What is the InChIKey of trimethyl-[4-[2-(4-methylphenyl)phenyl]furan-3-yl]silane?
The InChIKey is ISWTUURBZLMQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22OSi/c1-15-9-11-16(12-10-15)17-7-5-6-8-18(17)19-13-21-14-20(19)22(2,3)4/h5-14H,1-4H3.
What are the key properties of trimethyl-[4-[2-(4-methylphenyl)phenyl]furan-3-yl]silane?
trimethyl-[4-[2-(4-methylphenyl)phenyl]furan-3-yl]silane has a molecular weight of 306.48 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-[2-(4-methylphenyl)phenyl]furan-3-yl]silane is sourced from PubChem (CID 14977585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).