ethyl (2Z)-1-acetyl-2-[4-[tert-butyl(dimethyl)silyl]oxybutylidene]cyclopropane-1-carboxylate

C18H32O4Si — CID 11739331

IUPACethyl (2Z)-1-acetyl-2-[4-[tert-butyl(dimethyl)silyl]oxybutylidene]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C(C)=O)C/C1=C/CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O4Si/c1-8-21-16(20)18(14(2)19)13-15(18)11-9-10-12-22-23(6,7)17(3,4)5/h11H,8-10,12-13H2,1-7H3/b15-11-
InChIKeyQNRFKVCVLRKWBD-PTNGSMBKSA-N
MW340.54 g/mol
LogP4.26
Rot. Bonds8

About ethyl (2Z)-1-acetyl-2-[4-[tert-butyl(dimethyl)silyl]oxybutylidene]cyclopropane-1-carboxylate

ethyl (2Z)-1-acetyl-2-[4-[tert-butyl(dimethyl)silyl]oxybutylidene]cyclopropane-1-carboxylate (PubChem CID 11739331) has the molecular formula C18H32O4Si and a molecular weight of 340.54 g/mol. Its IUPAC name is ethyl (2Z)-1-acetyl-2-[4-[tert-butyl(dimethyl)silyl]oxybutylidene]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl (2Z)-1-acetyl-2-[4-[tert-butyl(dimethyl)silyl]oxybutylidene]cyclopropane-1-carboxylate
PubChem CID11739331
Molecular FormulaC18H32O4Si
Molecular Weight340.54 g/mol
Exact Mass340.21
IUPAC Nameethyl (2Z)-1-acetyl-2-[4-[tert-butyl(dimethyl)silyl]oxybutylidene]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C(C)=O)C/C1=C/CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O4Si/c1-8-21-16(20)18(14(2)19)13-15(18)11-9-10-12-22-23(6,7)17(3,4)5/h11H,8-10,12-13H2,1-7H3/b15-11-
InChIKeyQNRFKVCVLRKWBD-PTNGSMBKSA-N
XLogP4.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-1-acetyl-2-[4-[tert-butyl(dimethyl)silyl]oxybutylidene]cyclopropane-1-carboxylate?
The IUPAC name of ethyl (2Z)-1-acetyl-2-[4-[tert-butyl(dimethyl)silyl]oxybutylidene]cyclopropane-1-carboxylate (CID 11739331) is ethyl (2Z)-1-acetyl-2-[4-[tert-butyl(dimethyl)silyl]oxybutylidene]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl (2Z)-1-acetyl-2-[4-[tert-butyl(dimethyl)silyl]oxybutylidene]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl (2Z)-1-acetyl-2-[4-[tert-butyl(dimethyl)silyl]oxybutylidene]cyclopropane-1-carboxylate is CCOC(=O)C1(C(C)=O)C/C1=C/CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2Z)-1-acetyl-2-[4-[tert-butyl(dimethyl)silyl]oxybutylidene]cyclopropane-1-carboxylate?
The InChIKey is QNRFKVCVLRKWBD-PTNGSMBKSA-N. The full InChI is InChI=1S/C18H32O4Si/c1-8-21-16(20)18(14(2)19)13-15(18)11-9-10-12-22-23(6,7)17(3,4)5/h11H,8-10,12-13H2,1-7H3/b15-11-.
What are the key properties of ethyl (2Z)-1-acetyl-2-[4-[tert-butyl(dimethyl)silyl]oxybutylidene]cyclopropane-1-carboxylate?
ethyl (2Z)-1-acetyl-2-[4-[tert-butyl(dimethyl)silyl]oxybutylidene]cyclopropane-1-carboxylate has a molecular weight of 340.54 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-1-acetyl-2-[4-[tert-butyl(dimethyl)silyl]oxybutylidene]cyclopropane-1-carboxylate is sourced from PubChem (CID 11739331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).