[(Z)-oct-3-enyl] propanoate

C11H20O2 — CID 20836326

IUPAC[(Z)-oct-3-enyl] propanoate
SMILESCCCC/C=C\CCOC(=O)CC
InChIInChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7-
InChIKeyNTQOADMSKSBQCI-FPLPWBNLSA-N
MW184.28 g/mol
LogP3.08
Rot. Bonds7

About [(Z)-oct-3-enyl] propanoate

[(Z)-oct-3-enyl] propanoate (PubChem CID 20836326) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is [(Z)-oct-3-enyl] propanoate.

Molecular Properties

Compound Name[(Z)-oct-3-enyl] propanoate
PubChem CID20836326
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name[(Z)-oct-3-enyl] propanoate
SMILESCCCC/C=C\CCOC(=O)CC
InChIInChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7-
InChIKeyNTQOADMSKSBQCI-FPLPWBNLSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.08
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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Related Compounds

[(Z)-dec-3-enyl] propanoate
CID 129170896
[(E)-dec-3-enyl] propanoate
CID 45142124
[(Z)-dodec-7-enyl] propanoate
CID 56935984
[(E)-hexadec-5-enyl] propanoate
CID 23434883
[(E)-dec-3-enyl] (E)-dec-5-enoate
CID 172558184
[(Z)-non-3-enyl] butanoate
CID 175318305
[(Z)-octadec-9-enyl] propanoate;sulfuric acid
CID 159542544
bis[(E)-tetradec-9-enyl] butanedioate
CID 101280867
bis[(E)-dodec-7-enyl] butanedioate
CID 101280844
1-O-pentyl 5-O-[(E)-tetradec-3-enyl] pentanedioate
CID 91708813
1-O-octyl 5-O-[(E)-tetradec-3-enyl] pentanedioate
CID 91705732
1-O-butyl 10-O-[(Z)-non-3-enyl] decanedioate
CID 91712182

Frequently Asked Questions

What is the IUPAC name of [(Z)-oct-3-enyl] propanoate?
The IUPAC name of [(Z)-oct-3-enyl] propanoate (CID 20836326) is [(Z)-oct-3-enyl] propanoate.
What is the SMILES notation for [(Z)-oct-3-enyl] propanoate?
The canonical SMILES for [(Z)-oct-3-enyl] propanoate is CCCC/C=C\CCOC(=O)CC.
What is the InChIKey of [(Z)-oct-3-enyl] propanoate?
The InChIKey is NTQOADMSKSBQCI-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7-.
What are the key properties of [(Z)-oct-3-enyl] propanoate?
[(Z)-oct-3-enyl] propanoate has a molecular weight of 184.28 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-oct-3-enyl] propanoate is sourced from PubChem (CID 20836326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).