ethyl 2-ethylidene-4-methoxypent-3-enoate

C10H16O3 — CID 123724033

IUPACethyl 2-ethylidene-4-methoxypent-3-enoate
SMILESCC=C(C=C(C)OC)C(=O)OCC
InChIInChI=1S/C10H16O3/c1-5-9(7-8(3)12-4)10(11)13-6-2/h5,7H,6H2,1-4H3
InChIKeySLBSOHNGRQREOG-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.05
Rot. Bonds4

About ethyl 2-ethylidene-4-methoxypent-3-enoate

ethyl 2-ethylidene-4-methoxypent-3-enoate (PubChem CID 123724033) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is ethyl 2-ethylidene-4-methoxypent-3-enoate.

Molecular Properties

Compound Nameethyl 2-ethylidene-4-methoxypent-3-enoate
PubChem CID123724033
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nameethyl 2-ethylidene-4-methoxypent-3-enoate
SMILESCC=C(C=C(C)OC)C(=O)OCC
InChIInChI=1S/C10H16O3/c1-5-9(7-8(3)12-4)10(11)13-6-2/h5,7H,6H2,1-4H3
InChIKeySLBSOHNGRQREOG-UHFFFAOYSA-N
XLogP2.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-ethenylbut-2-enoate
CID 123198246
ethyl 2-methoxybut-2-enoate
CID 141457807
ethyl (E)-4-ethoxy-2-oxopent-3-enoate
CID 6385113
1-O,1-O-diethyl 2-O-methyl ethene-1,1,2-tricarboxylate
CID 12574374
1-O-ethyl 4-O-methyl (Z)-3-hydroxy-2-methylbut-2-enedioate
CID 134922200
ethyl (2Z,4E)-2-formamido-5-methoxy-3-(trifluoromethyl)hexa-2,4-dienoate
CID 71501565
4-O-ethyl 1-O-methyl (E)-2-methylbut-2-enedioate
CID 15441035
ethyl (2Z)-3-hydroxy-2-methylpenta-2,4-dienoate
CID 54721321
ethyl 2-oxo(213C)propanoate
CID 71309469
1-O-ethyl 3-O-methyl 2-oxopropanedioate
CID 547672
ethyl (Z)-2,3-dimethyl-4-oxopent-2-enoate
CID 124678637
N-cyclohexyl-4-ethoxy-2-ethylidenepent-3-enamide
CID 123169280

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethylidene-4-methoxypent-3-enoate?
The IUPAC name of ethyl 2-ethylidene-4-methoxypent-3-enoate (CID 123724033) is ethyl 2-ethylidene-4-methoxypent-3-enoate.
What is the SMILES notation for ethyl 2-ethylidene-4-methoxypent-3-enoate?
The canonical SMILES for ethyl 2-ethylidene-4-methoxypent-3-enoate is CC=C(C=C(C)OC)C(=O)OCC.
What is the InChIKey of ethyl 2-ethylidene-4-methoxypent-3-enoate?
The InChIKey is SLBSOHNGRQREOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-5-9(7-8(3)12-4)10(11)13-6-2/h5,7H,6H2,1-4H3.
What are the key properties of ethyl 2-ethylidene-4-methoxypent-3-enoate?
ethyl 2-ethylidene-4-methoxypent-3-enoate has a molecular weight of 184.23 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethylidene-4-methoxypent-3-enoate is sourced from PubChem (CID 123724033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).