ethyl 2-prop-2-enoxypent-4-enoate

C10H16O3 — CID 134979680

IUPACethyl 2-prop-2-enoxypent-4-enoate
SMILESC=CCOC(CC=C)C(=O)OCC
InChIInChI=1S/C10H16O3/c1-4-7-9(13-8-5-2)10(11)12-6-3/h4-5,9H,1-2,6-8H2,3H3
InChIKeyZKCDHWZGDRBAFG-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.70
Rot. Bonds7

About ethyl 2-prop-2-enoxypent-4-enoate

ethyl 2-prop-2-enoxypent-4-enoate (PubChem CID 134979680) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is ethyl 2-prop-2-enoxypent-4-enoate.

Molecular Properties

Compound Nameethyl 2-prop-2-enoxypent-4-enoate
PubChem CID134979680
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nameethyl 2-prop-2-enoxypent-4-enoate
SMILESC=CCOC(CC=C)C(=O)OCC
InChIInChI=1S/C10H16O3/c1-4-7-9(13-8-5-2)10(11)12-6-3/h4-5,9H,1-2,6-8H2,3H3
InChIKeyZKCDHWZGDRBAFG-UHFFFAOYSA-N
XLogP1.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-acetyloxybut-3-enoate
CID 14415563
Ethyl (S)-(-)-2-allyloxy-propionate
CID 14743303
Ethyl 2-(allyloxy)-3,3-difluoro-2-methylpent-4-enoate
CID 86690122
Propanoic acid, 2-allyloxy-, ethyl ester
CID 535120
methyl 3,6-dihydro-2H-pyran-2-carboxylate
CID 13756578
methyl (2S)-2-acetyloxypent-4-enoate
CID 11513826
Methyl 2-but-3-en-2-yloxyacetate
CID 13584105
Methyl 2-(1-methoxyprop-2-enoxy)pent-4-enoate
CID 15397040
ethyl (2S)-2-acetyloxypent-4-enoate
CID 101958381
Methyl 2-butoxy-4-pentenoate
CID 129754961
[(3R,4R)-4-but-3-enoyloxyhexa-1,5-dien-3-yl] but-3-enoate
CID 135019996
Ethyl 2-ethoxy-2-fluoropent-4-enoate
CID 88797380

Frequently Asked Questions

What is the IUPAC name of ethyl 2-prop-2-enoxypent-4-enoate?
The IUPAC name of ethyl 2-prop-2-enoxypent-4-enoate (CID 134979680) is ethyl 2-prop-2-enoxypent-4-enoate.
What is the SMILES notation for ethyl 2-prop-2-enoxypent-4-enoate?
The canonical SMILES for ethyl 2-prop-2-enoxypent-4-enoate is C=CCOC(CC=C)C(=O)OCC.
What is the InChIKey of ethyl 2-prop-2-enoxypent-4-enoate?
The InChIKey is ZKCDHWZGDRBAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-7-9(13-8-5-2)10(11)12-6-3/h4-5,9H,1-2,6-8H2,3H3.
What are the key properties of ethyl 2-prop-2-enoxypent-4-enoate?
ethyl 2-prop-2-enoxypent-4-enoate has a molecular weight of 184.23 g/mol, XLogP of 1.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-prop-2-enoxypent-4-enoate is sourced from PubChem (CID 134979680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).