[3-(4-chlorophenyl)cyclobuten-1-yl]oxy-triethylsilane

C16H23ClOSi — CID 85361935

IUPAC[3-(4-chlorophenyl)cyclobuten-1-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC1=CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H23ClOSi/c1-4-19(5-2,6-3)18-16-11-14(12-16)13-7-9-15(17)10-8-13/h7-11,14H,4-6,12H2,1-3H3
InChIKeyAWAYRFNSHMBTCY-UHFFFAOYSA-N
MW294.90 g/mol
LogP5.73
Rot. Bonds6

About [3-(4-chlorophenyl)cyclobuten-1-yl]oxy-triethylsilane

[3-(4-chlorophenyl)cyclobuten-1-yl]oxy-triethylsilane (PubChem CID 85361935) has the molecular formula C16H23ClOSi and a molecular weight of 294.90 g/mol. Its IUPAC name is [3-(4-chlorophenyl)cyclobuten-1-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[3-(4-chlorophenyl)cyclobuten-1-yl]oxy-triethylsilane
PubChem CID85361935
Molecular FormulaC16H23ClOSi
Molecular Weight294.90 g/mol
Exact Mass294.12
IUPAC Name[3-(4-chlorophenyl)cyclobuten-1-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC1=CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H23ClOSi/c1-4-19(5-2,6-3)18-16-11-14(12-16)13-7-9-15(17)10-8-13/h7-11,14H,4-6,12H2,1-3H3
InChIKeyAWAYRFNSHMBTCY-UHFFFAOYSA-N
XLogP5.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.90
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-[1-(4-chlorophenyl)but-3-enoxy]-dimethylsilane
CID 89510156
[3-(4-Chlorophenyl)-5,5-difluoro-1-cyclopentenyloxy]tert-butyldimethylsilane
CID 102492771
[(Z)-1-(4-chlorophenyl)prop-1-enoxy]-trimethylsilane
CID 11593915
[(E)-1-(4-chlorophenyl)prop-1-enoxy]-trimethylsilane
CID 14201312
(4-(2-Chloro-4-fluorophenyl)cyclohex-1-enyloxy)trimethylsilane
CID 66706273
Tert-butyl-[2-(3-chloro-4-fluorophenyl)pent-4-enoxy]-dimethylsilane
CID 68294181
tert-butyl-[(3S)-3-(4-chloro-3-fluorophenyl)butoxy]-dimethylsilane
CID 89817379
tert-butyl-[(2R)-2-(4-chloro-3-fluorophenyl)propoxy]-dimethylsilane
CID 147593706
Tert-butyl-[4-(4-chloro-3-fluorophenyl)butan-2-yloxy]-dimethylsilane
CID 153966548
tert-butyl-[[(1S,2S)-2-(3-chlorophenyl)-3-fluorocyclopropyl]methoxy]-dimethylsilane
CID 170693977
tert-butyl-[[(1S,2S,3R)-2-(3-chlorophenyl)-3-fluorocyclopropyl]methoxy]-dimethylsilane
CID 175784669
4-Chlorophenethyl alcohol, tert-butyldimethylsilyl ether
CID 91734632

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)cyclobuten-1-yl]oxy-triethylsilane?
The IUPAC name of [3-(4-chlorophenyl)cyclobuten-1-yl]oxy-triethylsilane (CID 85361935) is [3-(4-chlorophenyl)cyclobuten-1-yl]oxy-triethylsilane.
What is the SMILES notation for [3-(4-chlorophenyl)cyclobuten-1-yl]oxy-triethylsilane?
The canonical SMILES for [3-(4-chlorophenyl)cyclobuten-1-yl]oxy-triethylsilane is CC[Si](CC)(CC)OC1=CC(c2ccc(Cl)cc2)C1.
What is the InChIKey of [3-(4-chlorophenyl)cyclobuten-1-yl]oxy-triethylsilane?
The InChIKey is AWAYRFNSHMBTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClOSi/c1-4-19(5-2,6-3)18-16-11-14(12-16)13-7-9-15(17)10-8-13/h7-11,14H,4-6,12H2,1-3H3.
What are the key properties of [3-(4-chlorophenyl)cyclobuten-1-yl]oxy-triethylsilane?
[3-(4-chlorophenyl)cyclobuten-1-yl]oxy-triethylsilane has a molecular weight of 294.90 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)cyclobuten-1-yl]oxy-triethylsilane is sourced from PubChem (CID 85361935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).