[(E)-hex-2-enyl] pentanoate;pentanoic acid

C16H30O4 — CID 87304170

IUPAC[(E)-hex-2-enyl] pentanoate;pentanoic acid
SMILESCCC/C=C/COC(=O)CCCC.CCCCC(=O)O
InChIInChI=1S/C11H20O2.C5H10O2/c1-3-5-7-8-10-13-11(12)9-6-4-2;1-2-3-4-5(6)7/h7-8H,3-6,9-10H2,1-2H3;2-4H2,1H3,(H,6,7)/b8-7+;
InChIKeyIFKYNRFXAHSPDU-USRGLUTNSA-N
MW286.41 g/mol
LogP4.34
Rot. Bonds10

About [(E)-hex-2-enyl] pentanoate;pentanoic acid

[(E)-hex-2-enyl] pentanoate;pentanoic acid (PubChem CID 87304170) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is [(E)-hex-2-enyl] pentanoate;pentanoic acid.

Molecular Properties

Compound Name[(E)-hex-2-enyl] pentanoate;pentanoic acid
PubChem CID87304170
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Name[(E)-hex-2-enyl] pentanoate;pentanoic acid
SMILESCCC/C=C/COC(=O)CCCC.CCCCC(=O)O
InChIInChI=1S/C11H20O2.C5H10O2/c1-3-5-7-8-10-13-11(12)9-6-4-2;1-2-3-4-5(6)7/h7-8H,3-6,9-10H2,1-2H3;2-4H2,1H3,(H,6,7)/b8-7+;
InChIKeyIFKYNRFXAHSPDU-USRGLUTNSA-N
XLogP4.34
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-hex-2-enyl] pentanoate;pentanoic acid?
The IUPAC name of [(E)-hex-2-enyl] pentanoate;pentanoic acid (CID 87304170) is [(E)-hex-2-enyl] pentanoate;pentanoic acid.
What is the SMILES notation for [(E)-hex-2-enyl] pentanoate;pentanoic acid?
The canonical SMILES for [(E)-hex-2-enyl] pentanoate;pentanoic acid is CCC/C=C/COC(=O)CCCC.CCCCC(=O)O.
What is the InChIKey of [(E)-hex-2-enyl] pentanoate;pentanoic acid?
The InChIKey is IFKYNRFXAHSPDU-USRGLUTNSA-N. The full InChI is InChI=1S/C11H20O2.C5H10O2/c1-3-5-7-8-10-13-11(12)9-6-4-2;1-2-3-4-5(6)7/h7-8H,3-6,9-10H2,1-2H3;2-4H2,1H3,(H,6,7)/b8-7+;.
What are the key properties of [(E)-hex-2-enyl] pentanoate;pentanoic acid?
[(E)-hex-2-enyl] pentanoate;pentanoic acid has a molecular weight of 286.41 g/mol, XLogP of 4.34, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-2-enyl] pentanoate;pentanoic acid is sourced from PubChem (CID 87304170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).