[(E)-4-propanoyloxybut-3-enyl] propanoate

C10H16O4 — CID 19376959

IUPAC[(E)-4-propanoyloxybut-3-enyl] propanoate
SMILESCCC(=O)O/C=C/CCOC(=O)CC
InChIInChI=1S/C10H16O4/c1-3-9(11)13-7-5-6-8-14-10(12)4-2/h5,7H,3-4,6,8H2,1-2H3/b7-5+
InChIKeyLTLZGLOYJFAZDN-FNORWQNLSA-N
MW200.23 g/mol
LogP1.80
Rot. Bonds6

About [(E)-4-propanoyloxybut-3-enyl] propanoate

[(E)-4-propanoyloxybut-3-enyl] propanoate (PubChem CID 19376959) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is [(E)-4-propanoyloxybut-3-enyl] propanoate.

Molecular Properties

Compound Name[(E)-4-propanoyloxybut-3-enyl] propanoate
PubChem CID19376959
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name[(E)-4-propanoyloxybut-3-enyl] propanoate
SMILESCCC(=O)O/C=C/CCOC(=O)CC
InChIInChI=1S/C10H16O4/c1-3-9(11)13-7-5-6-8-14-10(12)4-2/h5,7H,3-4,6,8H2,1-2H3/b7-5+
InChIKeyLTLZGLOYJFAZDN-FNORWQNLSA-N
XLogP1.80
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-oct-3-enyl] propanoate
CID 20836326
dec-1-enyl propanoate
CID 54106013
[(Z)-dec-3-enyl] propanoate
CID 129170896
4-cyanobut-1-enyl propanoate
CID 174341664
[(E)-dec-3-enyl] propanoate
CID 45142124
4-O-dodec-1-enyl 1-O-propyl butanedioate
CID 174051277
bis(hex-3-enyl) propanedioate
CID 54313444
2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate
CID 87481595
14-propanoyloxytetradecyl propanoate
CID 100931915
[(E)-hexadec-5-enyl] propanoate
CID 23434883
[(Z)-dodec-7-enyl] propanoate
CID 56935984
[(Z)-2-methyl-3-propanoyloxyprop-2-enyl] propanoate
CID 146216360

Frequently Asked Questions

What is the IUPAC name of [(E)-4-propanoyloxybut-3-enyl] propanoate?
The IUPAC name of [(E)-4-propanoyloxybut-3-enyl] propanoate (CID 19376959) is [(E)-4-propanoyloxybut-3-enyl] propanoate.
What is the SMILES notation for [(E)-4-propanoyloxybut-3-enyl] propanoate?
The canonical SMILES for [(E)-4-propanoyloxybut-3-enyl] propanoate is CCC(=O)O/C=C/CCOC(=O)CC.
What is the InChIKey of [(E)-4-propanoyloxybut-3-enyl] propanoate?
The InChIKey is LTLZGLOYJFAZDN-FNORWQNLSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-9(11)13-7-5-6-8-14-10(12)4-2/h5,7H,3-4,6,8H2,1-2H3/b7-5+.
What are the key properties of [(E)-4-propanoyloxybut-3-enyl] propanoate?
[(E)-4-propanoyloxybut-3-enyl] propanoate has a molecular weight of 200.23 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-propanoyloxybut-3-enyl] propanoate is sourced from PubChem (CID 19376959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).