[(Z)-non-2-enyl] decanoate

C19H36O2 — CID 88564768

IUPAC[(Z)-non-2-enyl] decanoate
SMILESCCCCCC/C=C\COC(=O)CCCCCCCCC
InChIInChI=1S/C19H36O2/c1-3-5-7-9-11-13-15-17-19(20)21-18-16-14-12-10-8-6-4-2/h14,16H,3-13,15,17-18H2,1-2H3/b16-14-
InChIKeyFBPBOOPQYPWYQO-PEZBUJJGSA-N
MW296.50 g/mol
LogP6.20
Rot. Bonds15

About [(Z)-non-2-enyl] decanoate

[(Z)-non-2-enyl] decanoate (PubChem CID 88564768) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is [(Z)-non-2-enyl] decanoate.

Molecular Properties

Compound Name[(Z)-non-2-enyl] decanoate
PubChem CID88564768
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Name[(Z)-non-2-enyl] decanoate
SMILESCCCCCC/C=C\COC(=O)CCCCCCCCC
InChIInChI=1S/C19H36O2/c1-3-5-7-9-11-13-15-17-19(20)21-18-16-14-12-10-8-6-4-2/h14,16H,3-13,15,17-18H2,1-2H3/b16-14-
InChIKeyFBPBOOPQYPWYQO-PEZBUJJGSA-N
XLogP6.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 56.20
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'}

Analyze [(Z)-non-2-enyl] decanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

oct-2-enyl hexadecanoate
CID 154498237
[(Z)-4-[(E)-octadec-9-enoyl]oxybut-2-enyl] (Z)-octadec-9-enoate
CID 5355450
bis[(E)-pentadec-2-enyl] butanedioate
CID 87799324
7-[(Z)-non-2-enoxy]-7-oxoheptanoic acid
CID 155235780
[(Z)-non-2-enyl] octanoate;octanoic acid
CID 175155639
[(E)-dec-2-enyl] butanoate
CID 91749795
[(E)-hex-2-enyl] hexacosanoate
CID 102118773
[(E)-non-2-enyl] 4-bromobutanoate
CID 156692547
[(Z)-non-2-enyl] 5-methoxypentanoate
CID 153434938
bis(undec-2-enyl) 7-hydroxytridecanedioate
CID 123671747
1-O-[(E)-dec-4-enyl] 4-O-[(E)-dodec-2-enyl] butanedioate
CID 91715869
4-octadec-2-enoxy-4-oxobutanoic acid
CID 54223186

Frequently Asked Questions

What is the IUPAC name of [(Z)-non-2-enyl] decanoate?
The IUPAC name of [(Z)-non-2-enyl] decanoate (CID 88564768) is [(Z)-non-2-enyl] decanoate.
What is the SMILES notation for [(Z)-non-2-enyl] decanoate?
The canonical SMILES for [(Z)-non-2-enyl] decanoate is CCCCCC/C=C\COC(=O)CCCCCCCCC.
What is the InChIKey of [(Z)-non-2-enyl] decanoate?
The InChIKey is FBPBOOPQYPWYQO-PEZBUJJGSA-N. The full InChI is InChI=1S/C19H36O2/c1-3-5-7-9-11-13-15-17-19(20)21-18-16-14-12-10-8-6-4-2/h14,16H,3-13,15,17-18H2,1-2H3/b16-14-.
What are the key properties of [(Z)-non-2-enyl] decanoate?
[(Z)-non-2-enyl] decanoate has a molecular weight of 296.50 g/mol, XLogP of 6.20, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-non-2-enyl] decanoate is sourced from PubChem (CID 88564768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).