ethyl (E)-6-[3-(2-hydroxyethoxy)cyclopenta-1,3-dien-1-yl]hex-2-enoate

C15H22O4 — CID 101176263

IUPACethyl (E)-6-[3-(2-hydroxyethoxy)cyclopenta-1,3-dien-1-yl]hex-2-enoate
SMILESCCOC(=O)/C=C/CCCC1=CC(OCCO)=CC1
InChIInChI=1S/C15H22O4/c1-2-18-15(17)7-5-3-4-6-13-8-9-14(12-13)19-11-10-16/h5,7,9,12,16H,2-4,6,8,10-11H2,1H3/b7-5+
InChIKeyFSTCTCSJGDPORS-FNORWQNLSA-N
MW266.34 g/mol
LogP2.50
Rot. Bonds9

About ethyl (E)-6-[3-(2-hydroxyethoxy)cyclopenta-1,3-dien-1-yl]hex-2-enoate

ethyl (E)-6-[3-(2-hydroxyethoxy)cyclopenta-1,3-dien-1-yl]hex-2-enoate (PubChem CID 101176263) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl (E)-6-[3-(2-hydroxyethoxy)cyclopenta-1,3-dien-1-yl]hex-2-enoate.

Molecular Properties

Compound Nameethyl (E)-6-[3-(2-hydroxyethoxy)cyclopenta-1,3-dien-1-yl]hex-2-enoate
PubChem CID101176263
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Nameethyl (E)-6-[3-(2-hydroxyethoxy)cyclopenta-1,3-dien-1-yl]hex-2-enoate
SMILESCCOC(=O)/C=C/CCCC1=CC(OCCO)=CC1
InChIInChI=1S/C15H22O4/c1-2-18-15(17)7-5-3-4-6-13-8-9-14(12-13)19-11-10-16/h5,7,9,12,16H,2-4,6,8,10-11H2,1H3/b7-5+
InChIKeyFSTCTCSJGDPORS-FNORWQNLSA-N
XLogP2.50
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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ethyl (E)-6-trimethylsilyloxyhex-2-enoate
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ethyl (E)-9-phenylnon-2-enoate
CID 10753852
ethyl (2Z)-deca-2,9-dienoate
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ethyl (16Z)-docosa-2,13,16-trienoate
CID 175935939
ethyl (Z)-7-(4-hydroxy-3,5-dimethylphenyl)hept-2-enoate
CID 10356098
1-O-ethyl 4-O-(4-hydroxybutyl) but-2-enedioate
CID 54364251
ethyl 8-bromooct-2-enoate
CID 71343467

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-6-[3-(2-hydroxyethoxy)cyclopenta-1,3-dien-1-yl]hex-2-enoate?
The IUPAC name of ethyl (E)-6-[3-(2-hydroxyethoxy)cyclopenta-1,3-dien-1-yl]hex-2-enoate (CID 101176263) is ethyl (E)-6-[3-(2-hydroxyethoxy)cyclopenta-1,3-dien-1-yl]hex-2-enoate.
What is the SMILES notation for ethyl (E)-6-[3-(2-hydroxyethoxy)cyclopenta-1,3-dien-1-yl]hex-2-enoate?
The canonical SMILES for ethyl (E)-6-[3-(2-hydroxyethoxy)cyclopenta-1,3-dien-1-yl]hex-2-enoate is CCOC(=O)/C=C/CCCC1=CC(OCCO)=CC1.
What is the InChIKey of ethyl (E)-6-[3-(2-hydroxyethoxy)cyclopenta-1,3-dien-1-yl]hex-2-enoate?
The InChIKey is FSTCTCSJGDPORS-FNORWQNLSA-N. The full InChI is InChI=1S/C15H22O4/c1-2-18-15(17)7-5-3-4-6-13-8-9-14(12-13)19-11-10-16/h5,7,9,12,16H,2-4,6,8,10-11H2,1H3/b7-5+.
What are the key properties of ethyl (E)-6-[3-(2-hydroxyethoxy)cyclopenta-1,3-dien-1-yl]hex-2-enoate?
ethyl (E)-6-[3-(2-hydroxyethoxy)cyclopenta-1,3-dien-1-yl]hex-2-enoate has a molecular weight of 266.34 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-6-[3-(2-hydroxyethoxy)cyclopenta-1,3-dien-1-yl]hex-2-enoate is sourced from PubChem (CID 101176263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).