1H-inden-1-yl-(2-methoxyphenyl)-methyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

C26H30OSi — CID 140657608

IUPAC1H-inden-1-yl-(2-methoxyphenyl)-methyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCOc1ccccc1[Si](C)(C1C(C)=C(C)C(C)=C1C)C1C=Cc2ccccc21
InChIInChI=1S/C26H30OSi/c1-17-18(2)20(4)26(19(17)3)28(6,25-14-10-9-13-23(25)27-5)24-16-15-21-11-7-8-12-22(21)24/h7-16,24,26H,1-6H3
InChIKeyIPAKAHROTYFCQH-UHFFFAOYSA-N
MW386.61 g/mol
LogP6.39
Rot. Bonds4

About 1H-inden-1-yl-(2-methoxyphenyl)-methyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

1H-inden-1-yl-(2-methoxyphenyl)-methyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 140657608) has the molecular formula C26H30OSi and a molecular weight of 386.61 g/mol. Its IUPAC name is 1H-inden-1-yl-(2-methoxyphenyl)-methyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Name1H-inden-1-yl-(2-methoxyphenyl)-methyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID140657608
Molecular FormulaC26H30OSi
Molecular Weight386.61 g/mol
Exact Mass386.21
IUPAC Name1H-inden-1-yl-(2-methoxyphenyl)-methyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCOc1ccccc1[Si](C)(C1C(C)=C(C)C(C)=C1C)C1C=Cc2ccccc21
InChIInChI=1S/C26H30OSi/c1-17-18(2)20(4)26(19(17)3)28(6,25-14-10-9-13-23(25)27-5)24-16-15-21-11-7-8-12-22(21)24/h7-16,24,26H,1-6H3
InChIKeyIPAKAHROTYFCQH-UHFFFAOYSA-N
XLogP6.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.61
LogP ≤ 56.39
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 1H-inden-1-yl-(2-methoxyphenyl)-methyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of 1H-inden-1-yl-(2-methoxyphenyl)-methyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 140657608) is 1H-inden-1-yl-(2-methoxyphenyl)-methyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for 1H-inden-1-yl-(2-methoxyphenyl)-methyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for 1H-inden-1-yl-(2-methoxyphenyl)-methyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is COc1ccccc1[Si](C)(C1C(C)=C(C)C(C)=C1C)C1C=Cc2ccccc21.
What is the InChIKey of 1H-inden-1-yl-(2-methoxyphenyl)-methyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is IPAKAHROTYFCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30OSi/c1-17-18(2)20(4)26(19(17)3)28(6,25-14-10-9-13-23(25)27-5)24-16-15-21-11-7-8-12-22(21)24/h7-16,24,26H,1-6H3.
What are the key properties of 1H-inden-1-yl-(2-methoxyphenyl)-methyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
1H-inden-1-yl-(2-methoxyphenyl)-methyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 386.61 g/mol, XLogP of 6.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-1-yl-(2-methoxyphenyl)-methyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 140657608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).