[(Z)-non-2-enyl] 5-methoxypentanoate

C15H28O3 — CID 153434938

IUPAC[(Z)-non-2-enyl] 5-methoxypentanoate
SMILESCCCCCC/C=C\COC(=O)CCCCOC
InChIInChI=1S/C15H28O3/c1-3-4-5-6-7-8-10-14-18-15(16)12-9-11-13-17-2/h8,10H,3-7,9,11-14H2,1-2H3/b10-8-
InChIKeyZZYHVGBLUZBRJS-NTMALXAHSA-N
MW256.39 g/mol
LogP3.87
Rot. Bonds12

About [(Z)-non-2-enyl] 5-methoxypentanoate

[(Z)-non-2-enyl] 5-methoxypentanoate (PubChem CID 153434938) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is [(Z)-non-2-enyl] 5-methoxypentanoate.

Molecular Properties

Compound Name[(Z)-non-2-enyl] 5-methoxypentanoate
PubChem CID153434938
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name[(Z)-non-2-enyl] 5-methoxypentanoate
SMILESCCCCCC/C=C\COC(=O)CCCCOC
InChIInChI=1S/C15H28O3/c1-3-4-5-6-7-8-10-14-18-15(16)12-9-11-13-17-2/h8,10H,3-7,9,11-14H2,1-2H3/b10-8-
InChIKeyZZYHVGBLUZBRJS-NTMALXAHSA-N
XLogP3.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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] 5-methoxypentanoate 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
[(Z)-non-2-enyl] decanoate
CID 88564768
[(Z)-non-2-enyl] 8-[2-methoxyethyl-[8-[(Z)-non-2-enoxy]-8-oxooctyl]amino]octanoate
CID 170227784
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
tetradecyl (Z)-docos-13-enoate
CID 57485367
octacosyl (Z)-tetracos-15-enoate
CID 168953212
tetracosyl (Z)-icos-11-enoate
CID 72710761
pentacosyl icos-13-enoate
CID 166098592
decyl docos-13-enoate
CID 54397897

Frequently Asked Questions

What is the IUPAC name of [(Z)-non-2-enyl] 5-methoxypentanoate?
The IUPAC name of [(Z)-non-2-enyl] 5-methoxypentanoate (CID 153434938) is [(Z)-non-2-enyl] 5-methoxypentanoate.
What is the SMILES notation for [(Z)-non-2-enyl] 5-methoxypentanoate?
The canonical SMILES for [(Z)-non-2-enyl] 5-methoxypentanoate is CCCCCC/C=C\COC(=O)CCCCOC.
What is the InChIKey of [(Z)-non-2-enyl] 5-methoxypentanoate?
The InChIKey is ZZYHVGBLUZBRJS-NTMALXAHSA-N. The full InChI is InChI=1S/C15H28O3/c1-3-4-5-6-7-8-10-14-18-15(16)12-9-11-13-17-2/h8,10H,3-7,9,11-14H2,1-2H3/b10-8-.
What are the key properties of [(Z)-non-2-enyl] 5-methoxypentanoate?
[(Z)-non-2-enyl] 5-methoxypentanoate has a molecular weight of 256.39 g/mol, XLogP of 3.87, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-non-2-enyl] 5-methoxypentanoate is sourced from PubChem (CID 153434938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).