ethyl (Z)-4-(2-chlorophenyl)-2-triethylsilyloxybut-2-enoate

C18H27ClO3Si — CID 135021123

IUPACethyl (Z)-4-(2-chlorophenyl)-2-triethylsilyloxybut-2-enoate
SMILESCCOC(=O)/C(=C/Cc1ccccc1Cl)O[Si](CC)(CC)CC
InChIInChI=1S/C18H27ClO3Si/c1-5-21-18(20)17(22-23(6-2,7-3)8-4)14-13-15-11-9-10-12-16(15)19/h9-12,14H,5-8,13H2,1-4H3/b17-14-
InChIKeyKVCZQVMFKAXTNU-VKAVYKQESA-N
MW354.95 g/mol
LogP5.35
Rot. Bonds9

About ethyl (Z)-4-(2-chlorophenyl)-2-triethylsilyloxybut-2-enoate

ethyl (Z)-4-(2-chlorophenyl)-2-triethylsilyloxybut-2-enoate (PubChem CID 135021123) has the molecular formula C18H27ClO3Si and a molecular weight of 354.95 g/mol. Its IUPAC name is ethyl (Z)-4-(2-chlorophenyl)-2-triethylsilyloxybut-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-4-(2-chlorophenyl)-2-triethylsilyloxybut-2-enoate
PubChem CID135021123
Molecular FormulaC18H27ClO3Si
Molecular Weight354.95 g/mol
Exact Mass354.14
IUPAC Nameethyl (Z)-4-(2-chlorophenyl)-2-triethylsilyloxybut-2-enoate
SMILESCCOC(=O)/C(=C/Cc1ccccc1Cl)O[Si](CC)(CC)CC
InChIInChI=1S/C18H27ClO3Si/c1-5-21-18(20)17(22-23(6-2,7-3)8-4)14-13-15-11-9-10-12-16(15)19/h9-12,14H,5-8,13H2,1-4H3/b17-14-
InChIKeyKVCZQVMFKAXTNU-VKAVYKQESA-N
XLogP5.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.95
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-4-(2-chlorophenyl)-2-triethylsilyloxybut-2-enoate?
The IUPAC name of ethyl (Z)-4-(2-chlorophenyl)-2-triethylsilyloxybut-2-enoate (CID 135021123) is ethyl (Z)-4-(2-chlorophenyl)-2-triethylsilyloxybut-2-enoate.
What is the SMILES notation for ethyl (Z)-4-(2-chlorophenyl)-2-triethylsilyloxybut-2-enoate?
The canonical SMILES for ethyl (Z)-4-(2-chlorophenyl)-2-triethylsilyloxybut-2-enoate is CCOC(=O)/C(=C/Cc1ccccc1Cl)O[Si](CC)(CC)CC.
What is the InChIKey of ethyl (Z)-4-(2-chlorophenyl)-2-triethylsilyloxybut-2-enoate?
The InChIKey is KVCZQVMFKAXTNU-VKAVYKQESA-N. The full InChI is InChI=1S/C18H27ClO3Si/c1-5-21-18(20)17(22-23(6-2,7-3)8-4)14-13-15-11-9-10-12-16(15)19/h9-12,14H,5-8,13H2,1-4H3/b17-14-.
What are the key properties of ethyl (Z)-4-(2-chlorophenyl)-2-triethylsilyloxybut-2-enoate?
ethyl (Z)-4-(2-chlorophenyl)-2-triethylsilyloxybut-2-enoate has a molecular weight of 354.95 g/mol, XLogP of 5.35, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-4-(2-chlorophenyl)-2-triethylsilyloxybut-2-enoate is sourced from PubChem (CID 135021123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).