[2,6-dichloro-4-(2-ethyl-4,5-dihydroazulen-4-yl)phenyl]-trimethylsilane

C21H24Cl2Si — CID 141289269

IUPAC[2,6-dichloro-4-(2-ethyl-4,5-dihydroazulen-4-yl)phenyl]-trimethylsilane
SMILESCCC1=CC2=CC=CCC(c3cc(Cl)c([Si](C)(C)C)c(Cl)c3)C2=C1
InChIInChI=1S/C21H24Cl2Si/c1-5-14-10-15-8-6-7-9-17(18(15)11-14)16-12-19(22)21(20(23)13-16)24(2,3)4/h6-8,10-13,17H,5,9H2,1-4H3
InChIKeyOQRGZSZDTQQXKM-UHFFFAOYSA-N
MW375.42 g/mol
LogP6.78
Rot. Bonds3

About [2,6-dichloro-4-(2-ethyl-4,5-dihydroazulen-4-yl)phenyl]-trimethylsilane

[2,6-dichloro-4-(2-ethyl-4,5-dihydroazulen-4-yl)phenyl]-trimethylsilane (PubChem CID 141289269) has the molecular formula C21H24Cl2Si and a molecular weight of 375.42 g/mol. Its IUPAC name is [2,6-dichloro-4-(2-ethyl-4,5-dihydroazulen-4-yl)phenyl]-trimethylsilane.

Molecular Properties

Compound Name[2,6-dichloro-4-(2-ethyl-4,5-dihydroazulen-4-yl)phenyl]-trimethylsilane
PubChem CID141289269
Molecular FormulaC21H24Cl2Si
Molecular Weight375.42 g/mol
Exact Mass374.10
IUPAC Name[2,6-dichloro-4-(2-ethyl-4,5-dihydroazulen-4-yl)phenyl]-trimethylsilane
SMILESCCC1=CC2=CC=CCC(c3cc(Cl)c([Si](C)(C)C)c(Cl)c3)C2=C1
InChIInChI=1S/C21H24Cl2Si/c1-5-14-10-15-8-6-7-9-17(18(15)11-14)16-12-19(22)21(20(23)13-16)24(2,3)4/h6-8,10-13,17H,5,9H2,1-4H3
InChIKeyOQRGZSZDTQQXKM-UHFFFAOYSA-N
XLogP6.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.42
LogP ≤ 56.78
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 [2,6-dichloro-4-(2-ethyl-4,5-dihydroazulen-4-yl)phenyl]-trimethylsilane?
The IUPAC name of [2,6-dichloro-4-(2-ethyl-4,5-dihydroazulen-4-yl)phenyl]-trimethylsilane (CID 141289269) is [2,6-dichloro-4-(2-ethyl-4,5-dihydroazulen-4-yl)phenyl]-trimethylsilane.
What is the SMILES notation for [2,6-dichloro-4-(2-ethyl-4,5-dihydroazulen-4-yl)phenyl]-trimethylsilane?
The canonical SMILES for [2,6-dichloro-4-(2-ethyl-4,5-dihydroazulen-4-yl)phenyl]-trimethylsilane is CCC1=CC2=CC=CCC(c3cc(Cl)c([Si](C)(C)C)c(Cl)c3)C2=C1.
What is the InChIKey of [2,6-dichloro-4-(2-ethyl-4,5-dihydroazulen-4-yl)phenyl]-trimethylsilane?
The InChIKey is OQRGZSZDTQQXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2Si/c1-5-14-10-15-8-6-7-9-17(18(15)11-14)16-12-19(22)21(20(23)13-16)24(2,3)4/h6-8,10-13,17H,5,9H2,1-4H3.
What are the key properties of [2,6-dichloro-4-(2-ethyl-4,5-dihydroazulen-4-yl)phenyl]-trimethylsilane?
[2,6-dichloro-4-(2-ethyl-4,5-dihydroazulen-4-yl)phenyl]-trimethylsilane has a molecular weight of 375.42 g/mol, XLogP of 6.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dichloro-4-(2-ethyl-4,5-dihydroazulen-4-yl)phenyl]-trimethylsilane is sourced from PubChem (CID 141289269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).