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

C29H40Si — CID 87381886

IUPAC[4-[2-[(1-ethylcyclooctyl)methyl]-1H-inden-4-yl]phenyl]-trimethylsilane
SMILESCCC1(CC2=Cc3c(cccc3-c3ccc([Si](C)(C)C)cc3)C2)CCCCCCC1
InChIInChI=1S/C29H40Si/c1-5-29(18-9-7-6-8-10-19-29)22-23-20-25-12-11-13-27(28(25)21-23)24-14-16-26(17-15-24)30(2,3)4/h11-17,21H,5-10,18-20,22H2,1-4H3
InChIKeyRZRUCRHSJBGUDF-UHFFFAOYSA-N
MW416.73 g/mol
LogP8.37
Rot. Bonds5

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

[4-[2-[(1-ethylcyclooctyl)methyl]-1H-inden-4-yl]phenyl]-trimethylsilane (PubChem CID 87381886) has the molecular formula C29H40Si and a molecular weight of 416.73 g/mol. Its IUPAC name is [4-[2-[(1-ethylcyclooctyl)methyl]-1H-inden-4-yl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[2-[(1-ethylcyclooctyl)methyl]-1H-inden-4-yl]phenyl]-trimethylsilane
PubChem CID87381886
Molecular FormulaC29H40Si
Molecular Weight416.73 g/mol
Exact Mass416.29
IUPAC Name[4-[2-[(1-ethylcyclooctyl)methyl]-1H-inden-4-yl]phenyl]-trimethylsilane
SMILESCCC1(CC2=Cc3c(cccc3-c3ccc([Si](C)(C)C)cc3)C2)CCCCCCC1
InChIInChI=1S/C29H40Si/c1-5-29(18-9-7-6-8-10-19-29)22-23-20-25-12-11-13-27(28(25)21-23)24-14-16-26(17-15-24)30(2,3)4/h11-17,21H,5-10,18-20,22H2,1-4H3
InChIKeyRZRUCRHSJBGUDF-UHFFFAOYSA-N
XLogP8.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.73
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-[(1-ethylcyclononyl)methyl]-1H-inden-4-yl]phenyl]-trimethylsilane
CID 87381368
trimethyl-[4-[2-[(1-propylcyclopropyl)methyl]-1H-inden-4-yl]phenyl]silane
CID 87381858
4-(3,5-dimethylphenyl)-2-[(1-ethylcyclononyl)methyl]-1H-indene
CID 87381239
2-[2-[(1-ethylcyclopentyl)methyl]-1H-inden-4-yl]naphthalene
CID 87381641
1-[2-[(1-ethylcyclobutyl)methyl]-1H-inden-4-yl]naphthalene
CID 87381334
4-(3,5-dimethylphenyl)-2-[(1-propylcyclopropyl)methyl]-1H-indene
CID 87381428
4-(4-chlorophenyl)-2-ethyl-1H-indene
CID 18008260
CID 173068228
CID 173068228
2-(cyclohexylmethyl)-4-(4-ethylphenyl)-1H-indene
CID 87473753
[3-(2-ethyl-5-phenyl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane
CID 87703818
[4-[2-(cyclohexylmethyl)-6-methyl-1H-inden-4-yl]phenyl]-trimethylsilane
CID 87475329
4-(4-tert-butylphenyl)-2-(cycloheptylmethyl)-1H-indene
CID 87474795

Frequently Asked Questions

What is the IUPAC name of [4-[2-[(1-ethylcyclooctyl)methyl]-1H-inden-4-yl]phenyl]-trimethylsilane?
The IUPAC name of [4-[2-[(1-ethylcyclooctyl)methyl]-1H-inden-4-yl]phenyl]-trimethylsilane (CID 87381886) is [4-[2-[(1-ethylcyclooctyl)methyl]-1H-inden-4-yl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[2-[(1-ethylcyclooctyl)methyl]-1H-inden-4-yl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[2-[(1-ethylcyclooctyl)methyl]-1H-inden-4-yl]phenyl]-trimethylsilane is CCC1(CC2=Cc3c(cccc3-c3ccc([Si](C)(C)C)cc3)C2)CCCCCCC1.
What is the InChIKey of [4-[2-[(1-ethylcyclooctyl)methyl]-1H-inden-4-yl]phenyl]-trimethylsilane?
The InChIKey is RZRUCRHSJBGUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40Si/c1-5-29(18-9-7-6-8-10-19-29)22-23-20-25-12-11-13-27(28(25)21-23)24-14-16-26(17-15-24)30(2,3)4/h11-17,21H,5-10,18-20,22H2,1-4H3.
What are the key properties of [4-[2-[(1-ethylcyclooctyl)methyl]-1H-inden-4-yl]phenyl]-trimethylsilane?
[4-[2-[(1-ethylcyclooctyl)methyl]-1H-inden-4-yl]phenyl]-trimethylsilane has a molecular weight of 416.73 g/mol, XLogP of 8.37, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(1-ethylcyclooctyl)methyl]-1H-inden-4-yl]phenyl]-trimethylsilane is sourced from PubChem (CID 87381886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).