2-ethyl-2-prop-2-enoyloxypropanedioic acid

C8H10O6 — CID 174894826

IUPAC2-ethyl-2-prop-2-enoyloxypropanedioic acid
SMILESC=CC(=O)OC(CC)(C(=O)O)C(=O)O
InChIInChI=1S/C8H10O6/c1-3-5(9)14-8(4-2,6(10)11)7(12)13/h3H,1,4H2,2H3,(H,10,11)(H,12,13)
InChIKeyHQSZDPSFQHTJNX-UHFFFAOYSA-N
MW202.16 g/mol
LogP0.03
Rot. Bonds5

About 2-ethyl-2-prop-2-enoyloxypropanedioic acid

2-ethyl-2-prop-2-enoyloxypropanedioic acid (PubChem CID 174894826) has the molecular formula C8H10O6 and a molecular weight of 202.16 g/mol. Its IUPAC name is 2-ethyl-2-prop-2-enoyloxypropanedioic acid.

Molecular Properties

Compound Name2-ethyl-2-prop-2-enoyloxypropanedioic acid
PubChem CID174894826
Molecular FormulaC8H10O6
Molecular Weight202.16 g/mol
Exact Mass202.05
IUPAC Name2-ethyl-2-prop-2-enoyloxypropanedioic acid
SMILESC=CC(=O)OC(CC)(C(=O)O)C(=O)O
InChIInChI=1S/C8H10O6/c1-3-5(9)14-8(4-2,6(10)11)7(12)13/h3H,1,4H2,2H3,(H,10,11)(H,12,13)
InChIKeyHQSZDPSFQHTJNX-UHFFFAOYSA-N
XLogP0.03
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,3,3-trimethylpentan-2-yl prop-2-enoate
CID 129167601
3-ethylpent-1-en-3-yl prop-2-enoate
CID 135009193
3,4-diethylhexan-3-yl prop-2-enoate
CID 175395988
3-methylhexan-3-yl prop-2-enoate
CID 87498844
(1-chloro-2-methylbutan-2-yl) prop-2-enoate
CID 20643700
tert-butyl prop-2-enoate
CID 158231977
2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate
CID 141152964
3-phenylpentan-3-yl prop-2-enoate
CID 22709184
(1-isocyanato-1-prop-2-enoyloxypropyl) prop-2-enoate
CID 87270887
(3-amino-3-hydroxy-2-methylpentan-2-yl) prop-2-enoate
CID 87534109
sodium;hydride;2-hydroxy-2-prop-2-enoyloxypropanoic acid
CID 174879877
(3-ethyl-4,4-dimethyldecan-3-yl) prop-2-enoate
CID 164546468

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-prop-2-enoyloxypropanedioic acid?
The IUPAC name of 2-ethyl-2-prop-2-enoyloxypropanedioic acid (CID 174894826) is 2-ethyl-2-prop-2-enoyloxypropanedioic acid.
What is the SMILES notation for 2-ethyl-2-prop-2-enoyloxypropanedioic acid?
The canonical SMILES for 2-ethyl-2-prop-2-enoyloxypropanedioic acid is C=CC(=O)OC(CC)(C(=O)O)C(=O)O.
What is the InChIKey of 2-ethyl-2-prop-2-enoyloxypropanedioic acid?
The InChIKey is HQSZDPSFQHTJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O6/c1-3-5(9)14-8(4-2,6(10)11)7(12)13/h3H,1,4H2,2H3,(H,10,11)(H,12,13).
What are the key properties of 2-ethyl-2-prop-2-enoyloxypropanedioic acid?
2-ethyl-2-prop-2-enoyloxypropanedioic acid has a molecular weight of 202.16 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-prop-2-enoyloxypropanedioic acid is sourced from PubChem (CID 174894826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).