ethenyl 2-methylidenepent-4-enoate

C8H10O2 — CID 57225699

IUPACethenyl 2-methylidenepent-4-enoate
SMILESC=CCC(=C)C(=O)OC=C
InChIInChI=1S/C8H10O2/c1-4-6-7(3)8(9)10-5-2/h4-5H,1-3,6H2
InChIKeyWNBUJPNZKSSPAS-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.81
Rot. Bonds4

About ethenyl 2-methylidenepent-4-enoate

ethenyl 2-methylidenepent-4-enoate (PubChem CID 57225699) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is ethenyl 2-methylidenepent-4-enoate.

Molecular Properties

Compound Nameethenyl 2-methylidenepent-4-enoate
PubChem CID57225699
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Nameethenyl 2-methylidenepent-4-enoate
SMILESC=CCC(=C)C(=O)OC=C
InChIInChI=1S/C8H10O2/c1-4-6-7(3)8(9)10-5-2/h4-5H,1-3,6H2
InChIKeyWNBUJPNZKSSPAS-UHFFFAOYSA-N
XLogP1.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenyl 2-methylidenepent-4-enoate?
The IUPAC name of ethenyl 2-methylidenepent-4-enoate (CID 57225699) is ethenyl 2-methylidenepent-4-enoate.
What is the SMILES notation for ethenyl 2-methylidenepent-4-enoate?
The canonical SMILES for ethenyl 2-methylidenepent-4-enoate is C=CCC(=C)C(=O)OC=C.
What is the InChIKey of ethenyl 2-methylidenepent-4-enoate?
The InChIKey is WNBUJPNZKSSPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-4-6-7(3)8(9)10-5-2/h4-5H,1-3,6H2.
What are the key properties of ethenyl 2-methylidenepent-4-enoate?
ethenyl 2-methylidenepent-4-enoate has a molecular weight of 138.17 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-methylidenepent-4-enoate is sourced from PubChem (CID 57225699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).