(Z)-2-ethyl-3-(2-oxooxolan-3-yl)pent-2-enoic acid

C11H16O4 — CID 101410604

IUPAC(Z)-2-ethyl-3-(2-oxooxolan-3-yl)pent-2-enoic acid
SMILESCC/C(C(=O)O)=C(\CC)C1CCOC1=O
InChIInChI=1S/C11H16O4/c1-3-7(8(4-2)10(12)13)9-5-6-15-11(9)14/h9H,3-6H2,1-2H3,(H,12,13)/b8-7-
InChIKeyWRKPJVWIENUNNX-FPLPWBNLSA-N
MW212.24 g/mol
LogP1.75
Rot. Bonds4

About (Z)-2-ethyl-3-(2-oxooxolan-3-yl)pent-2-enoic acid

(Z)-2-ethyl-3-(2-oxooxolan-3-yl)pent-2-enoic acid (PubChem CID 101410604) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is (Z)-2-ethyl-3-(2-oxooxolan-3-yl)pent-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-ethyl-3-(2-oxooxolan-3-yl)pent-2-enoic acid
PubChem CID101410604
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name(Z)-2-ethyl-3-(2-oxooxolan-3-yl)pent-2-enoic acid
SMILESCC/C(C(=O)O)=C(\CC)C1CCOC1=O
InChIInChI=1S/C11H16O4/c1-3-7(8(4-2)10(12)13)9-5-6-15-11(9)14/h9H,3-6H2,1-2H3,(H,12,13)/b8-7-
InChIKeyWRKPJVWIENUNNX-FPLPWBNLSA-N
XLogP1.75
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-Ethoxy-1-oxopropan-2-ylidene)-4-methylpentanoic acid
CID 56629921
3-Ethyl-2-(1-methoxybutan-2-yl)pent-2-enoic acid
CID 57200702
(E)-2-methyl-3-(oxolan-3-yl)but-2-enoic acid
CID 66718438
2-Methyl-3-(oxolan-3-yl)but-2-enoic acid
CID 66718440
2-Methyl-3-(2-oxooxepan-3-yl)but-2-enoic acid
CID 67046439
4-(3,3-Dimethyl-5-oxooxolan-2-yl)-2-methylbut-2-enoic acid
CID 67240955
3-(3,3-Dimethyl-5-oxooxolan-2-yl)-2-methylbut-2-enoic acid
CID 67969446
(E)-2-pentan-2-yl-3-propan-2-ylbut-2-enedioic acid
CID 87536939
(E)-2-[2-(2-ethylhexoxy)-2-oxoethyl]-3-methylbut-2-enedioic acid
CID 88002769
(E)-2-(2-butoxy-2-oxoethyl)-3-butylbut-2-enedioic acid
CID 88003939
(E)-2-(4-ethoxybutyl)-3-[2-(2-ethylhexoxy)-2-oxoethyl]but-2-enedioic acid
CID 88004249
3-Ethoxycarbonyl-3-ethyl-5-methyl-2-propan-2-ylidenehexanoic acid
CID 89048832

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethyl-3-(2-oxooxolan-3-yl)pent-2-enoic acid?
The IUPAC name of (Z)-2-ethyl-3-(2-oxooxolan-3-yl)pent-2-enoic acid (CID 101410604) is (Z)-2-ethyl-3-(2-oxooxolan-3-yl)pent-2-enoic acid.
What is the SMILES notation for (Z)-2-ethyl-3-(2-oxooxolan-3-yl)pent-2-enoic acid?
The canonical SMILES for (Z)-2-ethyl-3-(2-oxooxolan-3-yl)pent-2-enoic acid is CC/C(C(=O)O)=C(\CC)C1CCOC1=O.
What is the InChIKey of (Z)-2-ethyl-3-(2-oxooxolan-3-yl)pent-2-enoic acid?
The InChIKey is WRKPJVWIENUNNX-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H16O4/c1-3-7(8(4-2)10(12)13)9-5-6-15-11(9)14/h9H,3-6H2,1-2H3,(H,12,13)/b8-7-.
What are the key properties of (Z)-2-ethyl-3-(2-oxooxolan-3-yl)pent-2-enoic acid?
(Z)-2-ethyl-3-(2-oxooxolan-3-yl)pent-2-enoic acid has a molecular weight of 212.24 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethyl-3-(2-oxooxolan-3-yl)pent-2-enoic acid is sourced from PubChem (CID 101410604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).