2-(2-ethoxyethoxycarbonyl)pent-2-enoic acid

C10H16O5 — CID 151190328

IUPAC2-(2-ethoxyethoxycarbonyl)pent-2-enoic acid
SMILESCCC=C(C(=O)O)C(=O)OCCOCC
InChIInChI=1S/C10H16O5/c1-3-5-8(9(11)12)10(13)15-7-6-14-4-2/h5H,3-4,6-7H2,1-2H3,(H,11,12)
InChIKeyNGEHWWMLEYDZSV-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.99
Rot. Bonds7

About 2-(2-ethoxyethoxycarbonyl)pent-2-enoic acid

2-(2-ethoxyethoxycarbonyl)pent-2-enoic acid (PubChem CID 151190328) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 2-(2-ethoxyethoxycarbonyl)pent-2-enoic acid.

Molecular Properties

Compound Name2-(2-ethoxyethoxycarbonyl)pent-2-enoic acid
PubChem CID151190328
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name2-(2-ethoxyethoxycarbonyl)pent-2-enoic acid
SMILESCCC=C(C(=O)O)C(=O)OCCOCC
InChIInChI=1S/C10H16O5/c1-3-5-8(9(11)12)10(13)15-7-6-14-4-2/h5H,3-4,6-7H2,1-2H3,(H,11,12)
InChIKeyNGEHWWMLEYDZSV-UHFFFAOYSA-N
XLogP0.99
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

2-ethoxycarbonyl-5-methylhex-2-enoic acid
CID 87776954
2-(2-ethoxyethyl)pent-2-enoic acid;2-ethoxyethyl prop-2-enoate
CID 175881234
2-(2-ethoxyethoxy)but-2-enedioic acid
CID 173452193
2-ethoxyethyl 2-ethoxyprop-2-enoate
CID 57101637
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 23189778
2-ethoxyethyl 2-methylpent-2-eneperoxoate
CID 173004745
acetic acid;1,2-diethoxyethane;ethane-1,2-diamine
CID 161203479
bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
carbonic acid;2-ethoxyethoxycarbonyloxy 2-ethoxyethyl carbonate
CID 159000036
diethyl 2-(2-ethoxyethylidene)propanedioate
CID 54239244
ethyl 2-(2-bromoacetyl)pent-2-enoate
CID 54454296
2-(2-ethoxyethoxy)ethyl prop-2-enoate;2-methylprop-2-enoic acid
CID 87934107

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxycarbonyl)pent-2-enoic acid?
The IUPAC name of 2-(2-ethoxyethoxycarbonyl)pent-2-enoic acid (CID 151190328) is 2-(2-ethoxyethoxycarbonyl)pent-2-enoic acid.
What is the SMILES notation for 2-(2-ethoxyethoxycarbonyl)pent-2-enoic acid?
The canonical SMILES for 2-(2-ethoxyethoxycarbonyl)pent-2-enoic acid is CCC=C(C(=O)O)C(=O)OCCOCC.
What is the InChIKey of 2-(2-ethoxyethoxycarbonyl)pent-2-enoic acid?
The InChIKey is NGEHWWMLEYDZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-3-5-8(9(11)12)10(13)15-7-6-14-4-2/h5H,3-4,6-7H2,1-2H3,(H,11,12).
What are the key properties of 2-(2-ethoxyethoxycarbonyl)pent-2-enoic acid?
2-(2-ethoxyethoxycarbonyl)pent-2-enoic acid has a molecular weight of 216.23 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxycarbonyl)pent-2-enoic acid is sourced from PubChem (CID 151190328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).