[2-ethyl-5-oxo-2-(3-oxopent-4-enyl)hept-6-enyl] prop-2-enoate

C17H24O4 — CID 87171399

IUPAC[2-ethyl-5-oxo-2-(3-oxopent-4-enyl)hept-6-enyl] prop-2-enoate
SMILESC=CC(=O)CCC(CC)(CCC(=O)C=C)COC(=O)C=C
InChIInChI=1S/C17H24O4/c1-5-14(18)9-11-17(8-4,12-10-15(19)6-2)13-21-16(20)7-3/h5-7H,1-3,8-13H2,4H3
InChIKeyOUUTYWXHKJALPG-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.18
Rot. Bonds12

About [2-ethyl-5-oxo-2-(3-oxopent-4-enyl)hept-6-enyl] prop-2-enoate

[2-ethyl-5-oxo-2-(3-oxopent-4-enyl)hept-6-enyl] prop-2-enoate (PubChem CID 87171399) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is [2-ethyl-5-oxo-2-(3-oxopent-4-enyl)hept-6-enyl] prop-2-enoate.

Molecular Properties

Compound Name[2-ethyl-5-oxo-2-(3-oxopent-4-enyl)hept-6-enyl] prop-2-enoate
PubChem CID87171399
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name[2-ethyl-5-oxo-2-(3-oxopent-4-enyl)hept-6-enyl] prop-2-enoate
SMILESC=CC(=O)CCC(CC)(CCC(=O)C=C)COC(=O)C=C
InChIInChI=1S/C17H24O4/c1-5-14(18)9-11-17(8-4,12-10-15(19)6-2)13-21-16(20)7-3/h5-7H,1-3,8-13H2,4H3
InChIKeyOUUTYWXHKJALPG-UHFFFAOYSA-N
XLogP3.18
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-ethyl-5-oxo-2-(3-oxopent-4-enyl)hept-6-enyl] prop-2-enoate?
The IUPAC name of [2-ethyl-5-oxo-2-(3-oxopent-4-enyl)hept-6-enyl] prop-2-enoate (CID 87171399) is [2-ethyl-5-oxo-2-(3-oxopent-4-enyl)hept-6-enyl] prop-2-enoate.
What is the SMILES notation for [2-ethyl-5-oxo-2-(3-oxopent-4-enyl)hept-6-enyl] prop-2-enoate?
The canonical SMILES for [2-ethyl-5-oxo-2-(3-oxopent-4-enyl)hept-6-enyl] prop-2-enoate is C=CC(=O)CCC(CC)(CCC(=O)C=C)COC(=O)C=C.
What is the InChIKey of [2-ethyl-5-oxo-2-(3-oxopent-4-enyl)hept-6-enyl] prop-2-enoate?
The InChIKey is OUUTYWXHKJALPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-5-14(18)9-11-17(8-4,12-10-15(19)6-2)13-21-16(20)7-3/h5-7H,1-3,8-13H2,4H3.
What are the key properties of [2-ethyl-5-oxo-2-(3-oxopent-4-enyl)hept-6-enyl] prop-2-enoate?
[2-ethyl-5-oxo-2-(3-oxopent-4-enyl)hept-6-enyl] prop-2-enoate has a molecular weight of 292.38 g/mol, XLogP of 3.18, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-5-oxo-2-(3-oxopent-4-enyl)hept-6-enyl] prop-2-enoate is sourced from PubChem (CID 87171399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).