ethyl 5-(1-hydroxypropoxy)cyclopentene-1-carboxylate

C11H18O4 — CID 163591222

IUPACethyl 5-(1-hydroxypropoxy)cyclopentene-1-carboxylate
SMILESCCOC(=O)C1=CCCC1OC(O)CC
InChIInChI=1S/C11H18O4/c1-3-10(12)15-9-7-5-6-8(9)11(13)14-4-2/h6,9-10,12H,3-5,7H2,1-2H3
InChIKeyGPRLQUJOVLNOHY-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.38
Rot. Bonds5

About ethyl 5-(1-hydroxypropoxy)cyclopentene-1-carboxylate

ethyl 5-(1-hydroxypropoxy)cyclopentene-1-carboxylate (PubChem CID 163591222) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl 5-(1-hydroxypropoxy)cyclopentene-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1-hydroxypropoxy)cyclopentene-1-carboxylate
PubChem CID163591222
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Nameethyl 5-(1-hydroxypropoxy)cyclopentene-1-carboxylate
SMILESCCOC(=O)C1=CCCC1OC(O)CC
InChIInChI=1S/C11H18O4/c1-3-10(12)15-9-7-5-6-8(9)11(13)14-4-2/h6,9-10,12H,3-5,7H2,1-2H3
InChIKeyGPRLQUJOVLNOHY-UHFFFAOYSA-N
XLogP1.38
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-Hydroxy-3-(1-hydroxy-2-methylbutyl)-4-methyl-2(5H)-furanone
CID 10013024
Acaterin
CID 126830
Methyl 5-hydroxycyclopent-1-ene-1-carboxylate
CID 11607928
4-(1-hydroxyhexyl)-2H-furan-5-one
CID 14226622
8-hydroxypregaliellalactone B
CID 146683487
(9R,10E,11aR)-9-hydroxy-3-(hydroxymethyl)-10-methyl-6-methylidene-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-2,7-dione
CID 162920444
2-(1'-Hydroxybutyl)-3-methyl-4-hydroxybut-2-en-1,4-olide
CID 163112472
4-(1-Hydroxyoctyl)-2-methyl-2H-furan-5-one
CID 10082421
Zrbiijnqslhraq-uhfffaoysa-
CID 11138069
5-Hydroxy-3[(1r)-1-hydroxypropyl]-4-methylfuran-2(5h)-one
CID 101241960
4-(1-hydroxybutyl)-2H-furan-5-one
CID 13902456
4-(Hydroxymethyl)-2-propylfuran-3-carboxylic acid
CID 154700504

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1-hydroxypropoxy)cyclopentene-1-carboxylate?
The IUPAC name of ethyl 5-(1-hydroxypropoxy)cyclopentene-1-carboxylate (CID 163591222) is ethyl 5-(1-hydroxypropoxy)cyclopentene-1-carboxylate.
What is the SMILES notation for ethyl 5-(1-hydroxypropoxy)cyclopentene-1-carboxylate?
The canonical SMILES for ethyl 5-(1-hydroxypropoxy)cyclopentene-1-carboxylate is CCOC(=O)C1=CCCC1OC(O)CC.
What is the InChIKey of ethyl 5-(1-hydroxypropoxy)cyclopentene-1-carboxylate?
The InChIKey is GPRLQUJOVLNOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-3-10(12)15-9-7-5-6-8(9)11(13)14-4-2/h6,9-10,12H,3-5,7H2,1-2H3.
What are the key properties of ethyl 5-(1-hydroxypropoxy)cyclopentene-1-carboxylate?
ethyl 5-(1-hydroxypropoxy)cyclopentene-1-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1-hydroxypropoxy)cyclopentene-1-carboxylate is sourced from PubChem (CID 163591222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).