(3-tert-butyl-2-methoxy-5-methylphenyl)-(1H-inden-2-yl)-dimethylsilane

C23H30OSi — CID 18347424

IUPAC(3-tert-butyl-2-methoxy-5-methylphenyl)-(1H-inden-2-yl)-dimethylsilane
SMILESCOc1c(C(C)(C)C)cc(C)cc1[Si](C)(C)C1=Cc2ccccc2C1
InChIInChI=1S/C23H30OSi/c1-16-12-20(23(2,3)4)22(24-5)21(13-16)25(6,7)19-14-17-10-8-9-11-18(17)15-19/h8-14H,15H2,1-7H3
InChIKeyNXMHMSHCLXDOIX-UHFFFAOYSA-N
MW350.58 g/mol
LogP5.40
Rot. Bonds3

About (3-tert-butyl-2-methoxy-5-methylphenyl)-(1H-inden-2-yl)-dimethylsilane

(3-tert-butyl-2-methoxy-5-methylphenyl)-(1H-inden-2-yl)-dimethylsilane (PubChem CID 18347424) has the molecular formula C23H30OSi and a molecular weight of 350.58 g/mol. Its IUPAC name is (3-tert-butyl-2-methoxy-5-methylphenyl)-(1H-inden-2-yl)-dimethylsilane.

Molecular Properties

Compound Name(3-tert-butyl-2-methoxy-5-methylphenyl)-(1H-inden-2-yl)-dimethylsilane
PubChem CID18347424
Molecular FormulaC23H30OSi
Molecular Weight350.58 g/mol
Exact Mass350.21
IUPAC Name(3-tert-butyl-2-methoxy-5-methylphenyl)-(1H-inden-2-yl)-dimethylsilane
SMILESCOc1c(C(C)(C)C)cc(C)cc1[Si](C)(C)C1=Cc2ccccc2C1
InChIInChI=1S/C23H30OSi/c1-16-12-20(23(2,3)4)22(24-5)21(13-16)25(6,7)19-14-17-10-8-9-11-18(17)15-19/h8-14H,15H2,1-7H3
InChIKeyNXMHMSHCLXDOIX-UHFFFAOYSA-N
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.58
LogP ≤ 55.40
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 (3-tert-butyl-2-methoxy-5-methylphenyl)-(1H-inden-2-yl)-dimethylsilane?
The IUPAC name of (3-tert-butyl-2-methoxy-5-methylphenyl)-(1H-inden-2-yl)-dimethylsilane (CID 18347424) is (3-tert-butyl-2-methoxy-5-methylphenyl)-(1H-inden-2-yl)-dimethylsilane.
What is the SMILES notation for (3-tert-butyl-2-methoxy-5-methylphenyl)-(1H-inden-2-yl)-dimethylsilane?
The canonical SMILES for (3-tert-butyl-2-methoxy-5-methylphenyl)-(1H-inden-2-yl)-dimethylsilane is COc1c(C(C)(C)C)cc(C)cc1[Si](C)(C)C1=Cc2ccccc2C1.
What is the InChIKey of (3-tert-butyl-2-methoxy-5-methylphenyl)-(1H-inden-2-yl)-dimethylsilane?
The InChIKey is NXMHMSHCLXDOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30OSi/c1-16-12-20(23(2,3)4)22(24-5)21(13-16)25(6,7)19-14-17-10-8-9-11-18(17)15-19/h8-14H,15H2,1-7H3.
What are the key properties of (3-tert-butyl-2-methoxy-5-methylphenyl)-(1H-inden-2-yl)-dimethylsilane?
(3-tert-butyl-2-methoxy-5-methylphenyl)-(1H-inden-2-yl)-dimethylsilane has a molecular weight of 350.58 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-2-methoxy-5-methylphenyl)-(1H-inden-2-yl)-dimethylsilane is sourced from PubChem (CID 18347424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).