ethyl (2Z,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-ethylidenecyclopentane-1-carboxylate

C19H34O3Si — CID 135067160

IUPACethyl (2Z,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-ethylidenecyclopentane-1-carboxylate
SMILESC/C=C1/CCC(C(=O)OCC)/C1=C/CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O3Si/c1-8-15-12-13-17(18(20)21-9-2)16(15)11-10-14-22-23(6,7)19(3,4)5/h8,11,17H,9-10,12-14H2,1-7H3/b15-8-,16-11+
InChIKeyOYTZGWPDAMTRCI-WPHUVGEQSA-N
MW338.56 g/mol
LogP5.24
Rot. Bonds6

About ethyl (2Z,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-ethylidenecyclopentane-1-carboxylate

ethyl (2Z,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-ethylidenecyclopentane-1-carboxylate (PubChem CID 135067160) has the molecular formula C19H34O3Si and a molecular weight of 338.56 g/mol. Its IUPAC name is ethyl (2Z,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-ethylidenecyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl (2Z,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-ethylidenecyclopentane-1-carboxylate
PubChem CID135067160
Molecular FormulaC19H34O3Si
Molecular Weight338.56 g/mol
Exact Mass338.23
IUPAC Nameethyl (2Z,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-ethylidenecyclopentane-1-carboxylate
SMILESC/C=C1/CCC(C(=O)OCC)/C1=C/CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O3Si/c1-8-15-12-13-17(18(20)21-9-2)16(15)11-10-14-22-23(6,7)19(3,4)5/h8,11,17H,9-10,12-14H2,1-7H3/b15-8-,16-11+
InChIKeyOYTZGWPDAMTRCI-WPHUVGEQSA-N
XLogP5.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.56
LogP ≤ 55.24
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

methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enoate
CID 11056141
(R)-(+)-Citronellic acid, tert-butyldimethylsilyl ester
CID 91736184
ethyl (E)-3,7-dimethyl-8-trimethylsilyloct-6-enoate
CID 11231042
ethyl (2Z,3E)-2,3-di(ethylidene)cyclopentane-1-carboxylate
CID 14952159
ethyl (2Z,3Z)-2,3-di(ethylidene)cyclopentane-1-carboxylate
CID 14952160
ethyl (2E,3E)-2,3-diethylidenecyclopentanecarboxylate
CID 14952161
ethyl (2E,3Z)-2,3-di(ethylidene)cyclopentane-1-carboxylate
CID 14952162
Ethyl 3,7-dimethyl-8-trimethylsilyloct-6-enoate
CID 72761153
Ethyl 3-methyl-8-trimethylsilyl-7-(trimethylsilylmethyl)oct-6-enoate
CID 164665760
ethyl (5E,9E,13Z,17Z)-13-fluoro-5,9,14-trimethyl-2-prop-1-en-2-yl-19-trimethylsilylnonadeca-5,9,13,17-tetraenoate
CID 10529117
3,7-Dimethyloct-6-enyl 5-[[[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoate
CID 15847289
11-(1,1,3,3,3-Pentamethyl-disiloxanyl)-undecanoic acid 3,7-dimethyl-oct-6-enyl ester
CID 54318200

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-ethylidenecyclopentane-1-carboxylate?
The IUPAC name of ethyl (2Z,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-ethylidenecyclopentane-1-carboxylate (CID 135067160) is ethyl (2Z,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-ethylidenecyclopentane-1-carboxylate.
What is the SMILES notation for ethyl (2Z,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-ethylidenecyclopentane-1-carboxylate?
The canonical SMILES for ethyl (2Z,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-ethylidenecyclopentane-1-carboxylate is C/C=C1/CCC(C(=O)OCC)/C1=C/CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2Z,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-ethylidenecyclopentane-1-carboxylate?
The InChIKey is OYTZGWPDAMTRCI-WPHUVGEQSA-N. The full InChI is InChI=1S/C19H34O3Si/c1-8-15-12-13-17(18(20)21-9-2)16(15)11-10-14-22-23(6,7)19(3,4)5/h8,11,17H,9-10,12-14H2,1-7H3/b15-8-,16-11+.
What are the key properties of ethyl (2Z,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-ethylidenecyclopentane-1-carboxylate?
ethyl (2Z,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-ethylidenecyclopentane-1-carboxylate has a molecular weight of 338.56 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-ethylidenecyclopentane-1-carboxylate is sourced from PubChem (CID 135067160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).