[(Z,8R)-8-methyldec-6-enyl] acetate

C13H24O2 — CID 134900865

IUPAC[(Z,8R)-8-methyldec-6-enyl] acetate
SMILESCC[C@@H](C)/C=C\CCCCCOC(C)=O
InChIInChI=1S/C13H24O2/c1-4-12(2)10-8-6-5-7-9-11-15-13(3)14/h8,10,12H,4-7,9,11H2,1-3H3/b10-8-/t12-/m1/s1
InChIKeyGWRAGPOMSMMSER-VPUINMBXSA-N
MW212.33 g/mol
LogP3.71
Rot. Bonds8

About [(Z,8R)-8-methyldec-6-enyl] acetate

[(Z,8R)-8-methyldec-6-enyl] acetate (PubChem CID 134900865) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is [(Z,8R)-8-methyldec-6-enyl] acetate.

Molecular Properties

Compound Name[(Z,8R)-8-methyldec-6-enyl] acetate
PubChem CID134900865
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name[(Z,8R)-8-methyldec-6-enyl] acetate
SMILESCC[C@@H](C)/C=C\CCCCCOC(C)=O
InChIInChI=1S/C13H24O2/c1-4-12(2)10-8-6-5-7-9-11-15-13(3)14/h8,10,12H,4-7,9,11H2,1-3H3/b10-8-/t12-/m1/s1
InChIKeyGWRAGPOMSMMSER-VPUINMBXSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.71
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,8R)-8-methyldec-6-enyl] acetate 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

[(E)-7-methylnon-5-enyl] acetate
CID 170849159
[(Z)-9-methylpentadec-10-enyl] acetate
CID 5364576
7-methyloct-5-enyl acetate
CID 146842876
[(E)-18-acetyloxyoctadec-9-enyl] acetate
CID 11783567
20-acetyloxyicos-11-enyl acetate
CID 537116
[(Z)-tridec-8-enyl] acetate
CID 10014538
hexadec-8-enyl acetate
CID 538136
[(Z)-octadec-13-enyl] acetate
CID 5363293
[(Z)-tridec-10-enyl] acetate
CID 13086957
octadec-8-enyl acetate
CID 538134
[(Z)-icos-11-enyl] acetate
CID 11493805
[(Z)-pentadec-7-enyl] acetate
CID 102286743

Frequently Asked Questions

What is the IUPAC name of [(Z,8R)-8-methyldec-6-enyl] acetate?
The IUPAC name of [(Z,8R)-8-methyldec-6-enyl] acetate (CID 134900865) is [(Z,8R)-8-methyldec-6-enyl] acetate.
What is the SMILES notation for [(Z,8R)-8-methyldec-6-enyl] acetate?
The canonical SMILES for [(Z,8R)-8-methyldec-6-enyl] acetate is CC[C@@H](C)/C=C\CCCCCOC(C)=O.
What is the InChIKey of [(Z,8R)-8-methyldec-6-enyl] acetate?
The InChIKey is GWRAGPOMSMMSER-VPUINMBXSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-12(2)10-8-6-5-7-9-11-15-13(3)14/h8,10,12H,4-7,9,11H2,1-3H3/b10-8-/t12-/m1/s1.
What are the key properties of [(Z,8R)-8-methyldec-6-enyl] acetate?
[(Z,8R)-8-methyldec-6-enyl] acetate has a molecular weight of 212.33 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,8R)-8-methyldec-6-enyl] acetate is sourced from PubChem (CID 134900865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).