ethyl 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]cyclopentene-1-carboxylate

C18H32O3Si — CID 15668718

IUPACethyl 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]cyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C(/C=C/CCO[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C18H32O3Si/c1-7-20-17(19)16-13-10-12-15(16)11-8-9-14-21-22(5,6)18(2,3)4/h8,11H,7,9-10,12-14H2,1-6H3/b11-8+
InChIKeyAJLCWHYZZDNOIF-DHZHZOJOSA-N
MW324.54 g/mol
LogP5.00
Rot. Bonds7

About ethyl 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]cyclopentene-1-carboxylate

ethyl 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]cyclopentene-1-carboxylate (PubChem CID 15668718) has the molecular formula C18H32O3Si and a molecular weight of 324.54 g/mol. Its IUPAC name is ethyl 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]cyclopentene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]cyclopentene-1-carboxylate
PubChem CID15668718
Molecular FormulaC18H32O3Si
Molecular Weight324.54 g/mol
Exact Mass324.21
IUPAC Nameethyl 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]cyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C(/C=C/CCO[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C18H32O3Si/c1-7-20-17(19)16-13-10-12-15(16)11-8-9-14-21-22(5,6)18(2,3)4/h8,11H,7,9-10,12-14H2,1-6H3/b11-8+
InChIKeyAJLCWHYZZDNOIF-DHZHZOJOSA-N
XLogP5.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.54
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(2S)-2-methyl-4-[(2R)-2-tri(propan-2-yl)silyloxyhex-5-enyl]-2H-furan-5-one
CID 11846083
methyl (E)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopenten-1-yl]but-2-enoate
CID 14903689
(2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxynon-8-enyl]-2-methyl-2H-furan-5-one
CID 24808910
ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylidenehept-6-enoate
CID 101405309
ethyl (2Z,7Z)-2-trimethylsilyl-4-oxatricyclo[9.5.0.03,7]hexadeca-1(11),2,7,13-tetraene-13-carboxylate
CID 102031608
ethyl 2-[(1Z,5E)-7-[tert-butyl(dimethyl)silyl]oxydodeca-1,5-dien-3-ynyl]cyclopentene-1-carboxylate
CID 134901468
ethyl (2Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2-[3-(5-oxo-2H-furan-4-yl)propylidene]hept-6-enoate
CID 134962603
4-butyl-8-[tert-butyl(dimethyl)silyl]oxy-5,6,8,9-tetrahydro-1H-cyclopenta[h]isochromen-3-one
CID 134983245
ethyl 2-[(E)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopentene-1-carboxylate
CID 134983708
ethyl 2-[(Z)-4-trimethylsilylbut-1-en-3-ynyl]cyclopentene-1-carboxylate
CID 134993570
ethyl (5E,9E,13Z,17Z)-13-fluoro-5,9,14-trimethyl-2-propan-2-ylidene-19-trimethylsilylnonadeca-5,9,13,17-tetraenoate
CID 10672715
ethyl 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopentene-1-carboxylate
CID 10249234

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]cyclopentene-1-carboxylate?
The IUPAC name of ethyl 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]cyclopentene-1-carboxylate (CID 15668718) is ethyl 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]cyclopentene-1-carboxylate.
What is the SMILES notation for ethyl 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]cyclopentene-1-carboxylate?
The canonical SMILES for ethyl 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]cyclopentene-1-carboxylate is CCOC(=O)C1=C(/C=C/CCO[Si](C)(C)C(C)(C)C)CCC1.
What is the InChIKey of ethyl 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]cyclopentene-1-carboxylate?
The InChIKey is AJLCWHYZZDNOIF-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H32O3Si/c1-7-20-17(19)16-13-10-12-15(16)11-8-9-14-21-22(5,6)18(2,3)4/h8,11H,7,9-10,12-14H2,1-6H3/b11-8+.
What are the key properties of ethyl 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]cyclopentene-1-carboxylate?
ethyl 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]cyclopentene-1-carboxylate has a molecular weight of 324.54 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]cyclopentene-1-carboxylate is sourced from PubChem (CID 15668718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).