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

C30H42Si — CID 87381368

IUPAC[4-[2-[(1-ethylcyclononyl)methyl]-1H-inden-4-yl]phenyl]-trimethylsilane
SMILESCCC1(CC2=Cc3c(cccc3-c3ccc([Si](C)(C)C)cc3)C2)CCCCCCCC1
InChIInChI=1S/C30H42Si/c1-5-30(19-10-8-6-7-9-11-20-30)23-24-21-26-13-12-14-28(29(26)22-24)25-15-17-27(18-16-25)31(2,3)4/h12-18,22H,5-11,19-21,23H2,1-4H3
InChIKeyBQBDYMJYAAOOOJ-UHFFFAOYSA-N
MW430.75 g/mol
LogP8.76
Rot. Bonds5

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

[4-[2-[(1-ethylcyclononyl)methyl]-1H-inden-4-yl]phenyl]-trimethylsilane (PubChem CID 87381368) has the molecular formula C30H42Si and a molecular weight of 430.75 g/mol. Its IUPAC name is [4-[2-[(1-ethylcyclononyl)methyl]-1H-inden-4-yl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[2-[(1-ethylcyclononyl)methyl]-1H-inden-4-yl]phenyl]-trimethylsilane
PubChem CID87381368
Molecular FormulaC30H42Si
Molecular Weight430.75 g/mol
Exact Mass430.31
IUPAC Name[4-[2-[(1-ethylcyclononyl)methyl]-1H-inden-4-yl]phenyl]-trimethylsilane
SMILESCCC1(CC2=Cc3c(cccc3-c3ccc([Si](C)(C)C)cc3)C2)CCCCCCCC1
InChIInChI=1S/C30H42Si/c1-5-30(19-10-8-6-7-9-11-20-30)23-24-21-26-13-12-14-28(29(26)22-24)25-15-17-27(18-16-25)31(2,3)4/h12-18,22H,5-11,19-21,23H2,1-4H3
InChIKeyBQBDYMJYAAOOOJ-UHFFFAOYSA-N
XLogP8.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.75
LogP ≤ 58.76
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-ethylcyclooctyl)methyl]-1H-inden-4-yl]phenyl]-trimethylsilane
CID 87381886
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-ethylcyclononyl)methyl]-1H-inden-4-yl]phenyl]-trimethylsilane?
The IUPAC name of [4-[2-[(1-ethylcyclononyl)methyl]-1H-inden-4-yl]phenyl]-trimethylsilane (CID 87381368) is [4-[2-[(1-ethylcyclononyl)methyl]-1H-inden-4-yl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[2-[(1-ethylcyclononyl)methyl]-1H-inden-4-yl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[2-[(1-ethylcyclononyl)methyl]-1H-inden-4-yl]phenyl]-trimethylsilane is CCC1(CC2=Cc3c(cccc3-c3ccc([Si](C)(C)C)cc3)C2)CCCCCCCC1.
What is the InChIKey of [4-[2-[(1-ethylcyclononyl)methyl]-1H-inden-4-yl]phenyl]-trimethylsilane?
The InChIKey is BQBDYMJYAAOOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42Si/c1-5-30(19-10-8-6-7-9-11-20-30)23-24-21-26-13-12-14-28(29(26)22-24)25-15-17-27(18-16-25)31(2,3)4/h12-18,22H,5-11,19-21,23H2,1-4H3.
What are the key properties of [4-[2-[(1-ethylcyclononyl)methyl]-1H-inden-4-yl]phenyl]-trimethylsilane?
[4-[2-[(1-ethylcyclononyl)methyl]-1H-inden-4-yl]phenyl]-trimethylsilane has a molecular weight of 430.75 g/mol, XLogP of 8.76, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(1-ethylcyclononyl)methyl]-1H-inden-4-yl]phenyl]-trimethylsilane is sourced from PubChem (CID 87381368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).