ethyl 1-(1-hydroxypropyl)cyclopent-3-ene-1-carboxylate

C11H18O3 — CID 165355584

IUPACethyl 1-(1-hydroxypropyl)cyclopent-3-ene-1-carboxylate
SMILESCCOC(=O)C1(C(O)CC)CC=CC1
InChIInChI=1S/C11H18O3/c1-3-9(12)11(7-5-6-8-11)10(13)14-4-2/h5-6,9,12H,3-4,7-8H2,1-2H3
InChIKeyAMHGNRNMYUTHJB-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.66
Rot. Bonds4

About ethyl 1-(1-hydroxypropyl)cyclopent-3-ene-1-carboxylate

ethyl 1-(1-hydroxypropyl)cyclopent-3-ene-1-carboxylate (PubChem CID 165355584) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is ethyl 1-(1-hydroxypropyl)cyclopent-3-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-hydroxypropyl)cyclopent-3-ene-1-carboxylate
PubChem CID165355584
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Nameethyl 1-(1-hydroxypropyl)cyclopent-3-ene-1-carboxylate
SMILESCCOC(=O)C1(C(O)CC)CC=CC1
InChIInChI=1S/C11H18O3/c1-3-9(12)11(7-5-6-8-11)10(13)14-4-2/h5-6,9,12H,3-4,7-8H2,1-2H3
InChIKeyAMHGNRNMYUTHJB-UHFFFAOYSA-N
XLogP1.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl (3R,5Z)-3-hydroxy-5-octenoate
CID 101998819
1-(Methoxymethyl)cyclohex-3-ene-1-carboxylic acid
CID 130624072
(E)-3,10-Dihydroxy-4,9-dimethyldodec-6-enedioic acid
CID 129008872
diethyl 2-[(E)-but-2-enyl]-2-but-3-enylpropanedioate
CID 11414508
Methyl (2r,3s)-2,3-dimethyl-3-ethyl-2-(1(s)-hydroxyethyl)-4-pentenoate
CID 177255964
Ethyl 4-ethyl-3-hydroxyhept-6-enoate
CID 86646120
Cyclohex-3-ene-1,1-dicarboxylic acid ethyl ester
CID 101958883
2-Pivaloyloxymethyl-cyclohex-4-eneol
CID 546152
Ethyl 6-hydroxycyclohex-3-ene-1-carboxylate
CID 556340
ethyl (2R)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate
CID 13299649
ethyl (2S)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate
CID 13299650
methyl (1R,6S)-6-hydroxy-1-(3-methylbut-2-enyl)cyclohex-2-ene-1-carboxylate
CID 24858887

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-hydroxypropyl)cyclopent-3-ene-1-carboxylate?
The IUPAC name of ethyl 1-(1-hydroxypropyl)cyclopent-3-ene-1-carboxylate (CID 165355584) is ethyl 1-(1-hydroxypropyl)cyclopent-3-ene-1-carboxylate.
What is the SMILES notation for ethyl 1-(1-hydroxypropyl)cyclopent-3-ene-1-carboxylate?
The canonical SMILES for ethyl 1-(1-hydroxypropyl)cyclopent-3-ene-1-carboxylate is CCOC(=O)C1(C(O)CC)CC=CC1.
What is the InChIKey of ethyl 1-(1-hydroxypropyl)cyclopent-3-ene-1-carboxylate?
The InChIKey is AMHGNRNMYUTHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-3-9(12)11(7-5-6-8-11)10(13)14-4-2/h5-6,9,12H,3-4,7-8H2,1-2H3.
What are the key properties of ethyl 1-(1-hydroxypropyl)cyclopent-3-ene-1-carboxylate?
ethyl 1-(1-hydroxypropyl)cyclopent-3-ene-1-carboxylate has a molecular weight of 198.26 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-hydroxypropyl)cyclopent-3-ene-1-carboxylate is sourced from PubChem (CID 165355584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).