[4-[2-(cyclohexylmethyl)-6-methyl-1H-inden-4-yl]phenyl]-trimethylsilane

C26H34Si — CID 87475329

IUPAC[4-[2-(cyclohexylmethyl)-6-methyl-1H-inden-4-yl]phenyl]-trimethylsilane
SMILESCc1cc2c(c(-c3ccc([Si](C)(C)C)cc3)c1)C=C(CC1CCCCC1)C2
InChIInChI=1S/C26H34Si/c1-19-14-23-17-21(16-20-8-6-5-7-9-20)18-26(23)25(15-19)22-10-12-24(13-11-22)27(2,3)4/h10-15,18,20H,5-9,16-17H2,1-4H3
InChIKeyJPRUDLGWGVGYFG-UHFFFAOYSA-N
MW374.64 g/mol
LogP7.12
Rot. Bonds4

About [4-[2-(cyclohexylmethyl)-6-methyl-1H-inden-4-yl]phenyl]-trimethylsilane

[4-[2-(cyclohexylmethyl)-6-methyl-1H-inden-4-yl]phenyl]-trimethylsilane (PubChem CID 87475329) has the molecular formula C26H34Si and a molecular weight of 374.64 g/mol. Its IUPAC name is [4-[2-(cyclohexylmethyl)-6-methyl-1H-inden-4-yl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[2-(cyclohexylmethyl)-6-methyl-1H-inden-4-yl]phenyl]-trimethylsilane
PubChem CID87475329
Molecular FormulaC26H34Si
Molecular Weight374.64 g/mol
Exact Mass374.24
IUPAC Name[4-[2-(cyclohexylmethyl)-6-methyl-1H-inden-4-yl]phenyl]-trimethylsilane
SMILESCc1cc2c(c(-c3ccc([Si](C)(C)C)cc3)c1)C=C(CC1CCCCC1)C2
InChIInChI=1S/C26H34Si/c1-19-14-23-17-21(16-20-8-6-5-7-9-20)18-26(23)25(15-19)22-10-12-24(13-11-22)27(2,3)4/h10-15,18,20H,5-9,16-17H2,1-4H3
InChIKeyJPRUDLGWGVGYFG-UHFFFAOYSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.64
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 [4-[2-(cyclohexylmethyl)-6-methyl-1H-inden-4-yl]phenyl]-trimethylsilane?
The IUPAC name of [4-[2-(cyclohexylmethyl)-6-methyl-1H-inden-4-yl]phenyl]-trimethylsilane (CID 87475329) is [4-[2-(cyclohexylmethyl)-6-methyl-1H-inden-4-yl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[2-(cyclohexylmethyl)-6-methyl-1H-inden-4-yl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[2-(cyclohexylmethyl)-6-methyl-1H-inden-4-yl]phenyl]-trimethylsilane is Cc1cc2c(c(-c3ccc([Si](C)(C)C)cc3)c1)C=C(CC1CCCCC1)C2.
What is the InChIKey of [4-[2-(cyclohexylmethyl)-6-methyl-1H-inden-4-yl]phenyl]-trimethylsilane?
The InChIKey is JPRUDLGWGVGYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34Si/c1-19-14-23-17-21(16-20-8-6-5-7-9-20)18-26(23)25(15-19)22-10-12-24(13-11-22)27(2,3)4/h10-15,18,20H,5-9,16-17H2,1-4H3.
What are the key properties of [4-[2-(cyclohexylmethyl)-6-methyl-1H-inden-4-yl]phenyl]-trimethylsilane?
[4-[2-(cyclohexylmethyl)-6-methyl-1H-inden-4-yl]phenyl]-trimethylsilane has a molecular weight of 374.64 g/mol, XLogP of 7.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(cyclohexylmethyl)-6-methyl-1H-inden-4-yl]phenyl]-trimethylsilane is sourced from PubChem (CID 87475329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).