2-methoxyethyl 2-ethylidenepent-3-enoate

C10H16O3 — CID 123997768

IUPAC2-methoxyethyl 2-ethylidenepent-3-enoate
SMILESCC=CC(=CC)C(=O)OCCOC
InChIInChI=1S/C10H16O3/c1-4-6-9(5-2)10(11)13-8-7-12-3/h4-6H,7-8H2,1-3H3
InChIKeySFFGHMFPQCISOO-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.70
Rot. Bonds5

About 2-methoxyethyl 2-ethylidenepent-3-enoate

2-methoxyethyl 2-ethylidenepent-3-enoate (PubChem CID 123997768) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-methoxyethyl 2-ethylidenepent-3-enoate.

Molecular Properties

Compound Name2-methoxyethyl 2-ethylidenepent-3-enoate
PubChem CID123997768
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-methoxyethyl 2-ethylidenepent-3-enoate
SMILESCC=CC(=CC)C(=O)OCCOC
InChIInChI=1S/C10H16O3/c1-4-6-9(5-2)10(11)13-8-7-12-3/h4-6H,7-8H2,1-3H3
InChIKeySFFGHMFPQCISOO-UHFFFAOYSA-N
XLogP1.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethoxy)ethyl (Z)-but-2-enoate
CID 5385708
butyl-ethyl-[2-[(Z,2E)-2-ethylidenepent-3-enoyl]oxyethyl]-propylazanium
CID 170177702
2-[(E)-but-2-enoyl]oxyethyl (E)-but-2-enoate;ethane-1,2-diol
CID 87089825
but-2-enoic acid;2-methoxyethanamine
CID 173271509
bis(2-methoxyethyl) (E)-2,3-dibromobut-2-enedioate
CID 11811204
ethyl (E)-2-[(E)-prop-1-enyl]pent-2-enoate
CID 46873133
methane;(E)-4-(2-methoxyethoxy)-4-oxobut-2-enoic acid
CID 157127007
1-O-(2-but-2-enoyloxyethyl) 3-O-methyl 2-diazopropanedioate
CID 175879767
zinc bis(4-(2-methoxyethoxy)-4-oxobut-2-enoate)
CID 162085133
2-methoxyethyl (Z)-4-aminobut-2-enoate
CID 124635031
1-O-butyl 4-O-(2-methoxyethyl) (Z)-but-2-enedioate
CID 87125961
ethane;methyl (Z,4E)-4-ethylidene-3-oxohept-5-enoate
CID 144574028

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-ethylidenepent-3-enoate?
The IUPAC name of 2-methoxyethyl 2-ethylidenepent-3-enoate (CID 123997768) is 2-methoxyethyl 2-ethylidenepent-3-enoate.
What is the SMILES notation for 2-methoxyethyl 2-ethylidenepent-3-enoate?
The canonical SMILES for 2-methoxyethyl 2-ethylidenepent-3-enoate is CC=CC(=CC)C(=O)OCCOC.
What is the InChIKey of 2-methoxyethyl 2-ethylidenepent-3-enoate?
The InChIKey is SFFGHMFPQCISOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-6-9(5-2)10(11)13-8-7-12-3/h4-6H,7-8H2,1-3H3.
What are the key properties of 2-methoxyethyl 2-ethylidenepent-3-enoate?
2-methoxyethyl 2-ethylidenepent-3-enoate has a molecular weight of 184.23 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-ethylidenepent-3-enoate is sourced from PubChem (CID 123997768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).