3-(4-ethoxyphenyl)octyl-dimethylsilane

C18H32OSi — CID 173365321

IUPAC3-(4-ethoxyphenyl)octyl-dimethylsilane
SMILESCCCCCC(CC[SiH](C)C)c1ccc(OCC)cc1
InChIInChI=1S/C18H32OSi/c1-5-7-8-9-16(14-15-20(3)4)17-10-12-18(13-11-17)19-6-2/h10-13,16,20H,5-9,14-15H2,1-4H3
InChIKeyRJMBLZFEISDBRO-UHFFFAOYSA-N
MW292.54 g/mol
LogP5.63
Rot. Bonds10

About 3-(4-ethoxyphenyl)octyl-dimethylsilane

3-(4-ethoxyphenyl)octyl-dimethylsilane (PubChem CID 173365321) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)octyl-dimethylsilane.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)octyl-dimethylsilane
PubChem CID173365321
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Name3-(4-ethoxyphenyl)octyl-dimethylsilane
SMILESCCCCCC(CC[SiH](C)C)c1ccc(OCC)cc1
InChIInChI=1S/C18H32OSi/c1-5-7-8-9-16(14-15-20(3)4)17-10-12-18(13-11-17)19-6-2/h10-13,16,20H,5-9,14-15H2,1-4H3
InChIKeyRJMBLZFEISDBRO-UHFFFAOYSA-N
XLogP5.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.54
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxyphenyl)pentan-1-amine
CID 112507782
4-(4-hexoxyphenyl)heptan-1-amine
CID 83932661
1-(4-ethoxyphenyl)-N-methylheptan-1-amine
CID 114752328
2-(4-ethoxyphenyl)heptane-1,3-diamine
CID 20848171
1-methoxy-4-nonan-5-ylbenzene
CID 14937032
1-methyl-4-undecan-6-ylbenzene
CID 54207407
1-(4-ethoxyphenyl)-N-propyloctan-1-amine
CID 43495169
(1S)-1-(4-ethoxyphenyl)pentan-1-amine;hydrochloride
CID 171220237
4-undecan-6-ylphenol
CID 66867197
(4-dodecan-6-ylphenyl)methanamine
CID 130348260
1-ethyl-4-undecan-4-ylbenzene
CID 14568440
1-(4-ethoxyphenyl)-N-methylpentan-1-amine
CID 43481859

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)octyl-dimethylsilane?
The IUPAC name of 3-(4-ethoxyphenyl)octyl-dimethylsilane (CID 173365321) is 3-(4-ethoxyphenyl)octyl-dimethylsilane.
What is the SMILES notation for 3-(4-ethoxyphenyl)octyl-dimethylsilane?
The canonical SMILES for 3-(4-ethoxyphenyl)octyl-dimethylsilane is CCCCCC(CC[SiH](C)C)c1ccc(OCC)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)octyl-dimethylsilane?
The InChIKey is RJMBLZFEISDBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32OSi/c1-5-7-8-9-16(14-15-20(3)4)17-10-12-18(13-11-17)19-6-2/h10-13,16,20H,5-9,14-15H2,1-4H3.
What are the key properties of 3-(4-ethoxyphenyl)octyl-dimethylsilane?
3-(4-ethoxyphenyl)octyl-dimethylsilane has a molecular weight of 292.54 g/mol, XLogP of 5.63, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)octyl-dimethylsilane is sourced from PubChem (CID 173365321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).