[(E)-pent-3-enyl] (E)-hex-4-enoate

C11H18O2 — CID 155647777

IUPAC[(E)-pent-3-enyl] (E)-hex-4-enoate
SMILESC/C=C/CCOC(=O)CC/C=C/C
InChIInChI=1S/C11H18O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h3-6H,7-10H2,1-2H3/b5-3+,6-4+
InChIKeyAQKOCOQPZZSWTQ-GGWOSOGESA-N
MW182.26 g/mol
LogP2.85
Rot. Bonds6

About [(E)-pent-3-enyl] (E)-hex-4-enoate

[(E)-pent-3-enyl] (E)-hex-4-enoate (PubChem CID 155647777) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is [(E)-pent-3-enyl] (E)-hex-4-enoate.

Molecular Properties

Compound Name[(E)-pent-3-enyl] (E)-hex-4-enoate
PubChem CID155647777
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name[(E)-pent-3-enyl] (E)-hex-4-enoate
SMILESC/C=C/CCOC(=O)CC/C=C/C
InChIInChI=1S/C11H18O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h3-6H,7-10H2,1-2H3/b5-3+,6-4+
InChIKeyAQKOCOQPZZSWTQ-GGWOSOGESA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-pent-3-enyl] (E)-hex-4-enoate?
The IUPAC name of [(E)-pent-3-enyl] (E)-hex-4-enoate (CID 155647777) is [(E)-pent-3-enyl] (E)-hex-4-enoate.
What is the SMILES notation for [(E)-pent-3-enyl] (E)-hex-4-enoate?
The canonical SMILES for [(E)-pent-3-enyl] (E)-hex-4-enoate is C/C=C/CCOC(=O)CC/C=C/C.
What is the InChIKey of [(E)-pent-3-enyl] (E)-hex-4-enoate?
The InChIKey is AQKOCOQPZZSWTQ-GGWOSOGESA-N. The full InChI is InChI=1S/C11H18O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h3-6H,7-10H2,1-2H3/b5-3+,6-4+.
What are the key properties of [(E)-pent-3-enyl] (E)-hex-4-enoate?
[(E)-pent-3-enyl] (E)-hex-4-enoate has a molecular weight of 182.26 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-pent-3-enyl] (E)-hex-4-enoate is sourced from PubChem (CID 155647777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).