ethyl (2E,3Z)-2,3-di(ethylidene)cyclopentane-1-carboxylate

C12H18O2 — CID 14952162

IUPACethyl (2E,3Z)-2,3-di(ethylidene)cyclopentane-1-carboxylate
SMILESC/C=C1/CCC(C(=O)OCC)/C1=C\C
InChIInChI=1S/C12H18O2/c1-4-9-7-8-11(10(9)5-2)12(13)14-6-3/h4-5,11H,6-8H2,1-3H3/b9-4-,10-5-
InChIKeyUBKYXHINJRYKII-AVWDGMTFSA-N
MW194.27 g/mol
LogP2.85
Rot. Bonds2

About ethyl (2E,3Z)-2,3-di(ethylidene)cyclopentane-1-carboxylate

ethyl (2E,3Z)-2,3-di(ethylidene)cyclopentane-1-carboxylate (PubChem CID 14952162) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is ethyl (2E,3Z)-2,3-di(ethylidene)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl (2E,3Z)-2,3-di(ethylidene)cyclopentane-1-carboxylate
PubChem CID14952162
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Nameethyl (2E,3Z)-2,3-di(ethylidene)cyclopentane-1-carboxylate
SMILESC/C=C1/CCC(C(=O)OCC)/C1=C\C
InChIInChI=1S/C12H18O2/c1-4-9-7-8-11(10(9)5-2)12(13)14-6-3/h4-5,11H,6-8H2,1-3H3/b9-4-,10-5-
InChIKeyUBKYXHINJRYKII-AVWDGMTFSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Citronellyl propionate
CID 8834
Citronellyl butyrate
CID 8835
Methyl rhodinolate
CID 61290
Hexanoic acid, 3,7-dimethyl-6-octen-1-yl ester
CID 114416
Citronellyl isobutyrate
CID 60985
Citronellyl valerate
CID 61416
Citronellyl isovalerate
CID 111440
2-Cyclopentene-1-acetic acid, ethyl ester
CID 10877336
2-Cyclopentene-1-acetic acid, 2-ethylbutyl ester
CID 21149847
3,7-Dimethyl-6-octenyl 3,7-dimethyloct-6-enoate
CID 3086155
Trans-eldanolide
CID 11008321
3-Cyclohexene-1-carboxylic acid, 6,6-dimethyl-2-methylene-, ethyl ester
CID 118200

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,3Z)-2,3-di(ethylidene)cyclopentane-1-carboxylate?
The IUPAC name of ethyl (2E,3Z)-2,3-di(ethylidene)cyclopentane-1-carboxylate (CID 14952162) is ethyl (2E,3Z)-2,3-di(ethylidene)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl (2E,3Z)-2,3-di(ethylidene)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl (2E,3Z)-2,3-di(ethylidene)cyclopentane-1-carboxylate is C/C=C1/CCC(C(=O)OCC)/C1=C\C.
What is the InChIKey of ethyl (2E,3Z)-2,3-di(ethylidene)cyclopentane-1-carboxylate?
The InChIKey is UBKYXHINJRYKII-AVWDGMTFSA-N. The full InChI is InChI=1S/C12H18O2/c1-4-9-7-8-11(10(9)5-2)12(13)14-6-3/h4-5,11H,6-8H2,1-3H3/b9-4-,10-5-.
What are the key properties of ethyl (2E,3Z)-2,3-di(ethylidene)cyclopentane-1-carboxylate?
ethyl (2E,3Z)-2,3-di(ethylidene)cyclopentane-1-carboxylate has a molecular weight of 194.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,3Z)-2,3-di(ethylidene)cyclopentane-1-carboxylate is sourced from PubChem (CID 14952162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).