[(3Z,5R,6Z)-5-acetyloxydodeca-3,6-dienyl] 5-hydroxypentanoate

C19H32O5 — CID 102301741

IUPAC[(3Z,5R,6Z)-5-acetyloxydodeca-3,6-dienyl] 5-hydroxypentanoate
SMILESCCCCC/C=C\[C@H](/C=C\CCOC(=O)CCCCO)OC(C)=O
InChIInChI=1S/C19H32O5/c1-3-4-5-6-7-12-18(24-17(2)21)13-9-11-16-23-19(22)14-8-10-15-20/h7,9,12-13,18,20H,3-6,8,10-11,14-16H2,1-2H3/b12-7-,13-9-/t18-/m1/s1
InChIKeyMYRBVHYJKZGAPW-SGDCSESYSA-N
MW340.46 g/mol
LogP3.71
Rot. Bonds14

About [(3Z,5R,6Z)-5-acetyloxydodeca-3,6-dienyl] 5-hydroxypentanoate

[(3Z,5R,6Z)-5-acetyloxydodeca-3,6-dienyl] 5-hydroxypentanoate (PubChem CID 102301741) has the molecular formula C19H32O5 and a molecular weight of 340.46 g/mol. Its IUPAC name is [(3Z,5R,6Z)-5-acetyloxydodeca-3,6-dienyl] 5-hydroxypentanoate.

Molecular Properties

Compound Name[(3Z,5R,6Z)-5-acetyloxydodeca-3,6-dienyl] 5-hydroxypentanoate
PubChem CID102301741
Molecular FormulaC19H32O5
Molecular Weight340.46 g/mol
Exact Mass340.22
IUPAC Name[(3Z,5R,6Z)-5-acetyloxydodeca-3,6-dienyl] 5-hydroxypentanoate
SMILESCCCCC/C=C\[C@H](/C=C\CCOC(=O)CCCCO)OC(C)=O
InChIInChI=1S/C19H32O5/c1-3-4-5-6-7-12-18(24-17(2)21)13-9-11-16-23-19(22)14-8-10-15-20/h7,9,12-13,18,20H,3-6,8,10-11,14-16H2,1-2H3/b12-7-,13-9-/t18-/m1/s1
InChIKeyMYRBVHYJKZGAPW-SGDCSESYSA-N
XLogP3.71
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

[(4Z,6R,7Z)-6-acetyloxytrideca-4,7-dienyl] 4-hydroxybutanoate
CID 102301736
[(Z)-non-3-enyl] 8-hydroxyoctanoate
CID 172621176
19-hydroxynonadecyl icos-13-enoate
CID 166097726
25-hydroxypentacosyl icos-13-enoate
CID 166097569
27-hydroxyheptacosyl icos-11-enoate
CID 170564361
19-hydroxynonadecyl (Z)-hexadec-9-enoate
CID 166097732
32-hydroxydotriacontyl icos-13-enoate
CID 166098294
4-hydroxybutyl (Z)-octadec-9-enoate
CID 6432871
13-hydroxytridecyl tetracos-15-enoate
CID 166098217
29-hydroxynonacosyl (Z)-octadec-9-enoate
CID 166098493
26-hydroxyhexacosyl tetradec-9-enoate
CID 174214708
13-hydroxytridecyl tetradec-9-enoate
CID 174214933

Frequently Asked Questions

What is the IUPAC name of [(3Z,5R,6Z)-5-acetyloxydodeca-3,6-dienyl] 5-hydroxypentanoate?
The IUPAC name of [(3Z,5R,6Z)-5-acetyloxydodeca-3,6-dienyl] 5-hydroxypentanoate (CID 102301741) is [(3Z,5R,6Z)-5-acetyloxydodeca-3,6-dienyl] 5-hydroxypentanoate.
What is the SMILES notation for [(3Z,5R,6Z)-5-acetyloxydodeca-3,6-dienyl] 5-hydroxypentanoate?
The canonical SMILES for [(3Z,5R,6Z)-5-acetyloxydodeca-3,6-dienyl] 5-hydroxypentanoate is CCCCC/C=C\[C@H](/C=C\CCOC(=O)CCCCO)OC(C)=O.
What is the InChIKey of [(3Z,5R,6Z)-5-acetyloxydodeca-3,6-dienyl] 5-hydroxypentanoate?
The InChIKey is MYRBVHYJKZGAPW-SGDCSESYSA-N. The full InChI is InChI=1S/C19H32O5/c1-3-4-5-6-7-12-18(24-17(2)21)13-9-11-16-23-19(22)14-8-10-15-20/h7,9,12-13,18,20H,3-6,8,10-11,14-16H2,1-2H3/b12-7-,13-9-/t18-/m1/s1.
What are the key properties of [(3Z,5R,6Z)-5-acetyloxydodeca-3,6-dienyl] 5-hydroxypentanoate?
[(3Z,5R,6Z)-5-acetyloxydodeca-3,6-dienyl] 5-hydroxypentanoate has a molecular weight of 340.46 g/mol, XLogP of 3.71, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z,5R,6Z)-5-acetyloxydodeca-3,6-dienyl] 5-hydroxypentanoate is sourced from PubChem (CID 102301741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).