[(Z)-non-3-enyl] 8-hydroxyoctanoate

C17H32O3 — CID 172621176

IUPAC[(Z)-non-3-enyl] 8-hydroxyoctanoate
SMILESCCCCC/C=C\CCOC(=O)CCCCCCCO
InChIInChI=1S/C17H32O3/c1-2-3-4-5-6-10-13-16-20-17(19)14-11-8-7-9-12-15-18/h6,10,18H,2-5,7-9,11-16H2,1H3/b10-6-
InChIKeyBGZHTWISZLMQIY-POHAHGRESA-N
MW284.44 g/mol
LogP4.39
Rot. Bonds14

About [(Z)-non-3-enyl] 8-hydroxyoctanoate

[(Z)-non-3-enyl] 8-hydroxyoctanoate (PubChem CID 172621176) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is [(Z)-non-3-enyl] 8-hydroxyoctanoate.

Molecular Properties

Compound Name[(Z)-non-3-enyl] 8-hydroxyoctanoate
PubChem CID172621176
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name[(Z)-non-3-enyl] 8-hydroxyoctanoate
SMILESCCCCC/C=C\CCOC(=O)CCCCCCCO
InChIInChI=1S/C17H32O3/c1-2-3-4-5-6-10-13-16-20-17(19)14-11-8-7-9-12-15-18/h6,10,18H,2-5,7-9,11-16H2,1H3/b10-6-
InChIKeyBGZHTWISZLMQIY-POHAHGRESA-N
XLogP4.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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
1-O-butyl 10-O-[(Z)-non-3-enyl] decanedioate
CID 91712182
6-O-[(Z)-non-3-enyl] 1-O-nonyl hexanedioate
CID 91713684

Frequently Asked Questions

What is the IUPAC name of [(Z)-non-3-enyl] 8-hydroxyoctanoate?
The IUPAC name of [(Z)-non-3-enyl] 8-hydroxyoctanoate (CID 172621176) is [(Z)-non-3-enyl] 8-hydroxyoctanoate.
What is the SMILES notation for [(Z)-non-3-enyl] 8-hydroxyoctanoate?
The canonical SMILES for [(Z)-non-3-enyl] 8-hydroxyoctanoate is CCCCC/C=C\CCOC(=O)CCCCCCCO.
What is the InChIKey of [(Z)-non-3-enyl] 8-hydroxyoctanoate?
The InChIKey is BGZHTWISZLMQIY-POHAHGRESA-N. The full InChI is InChI=1S/C17H32O3/c1-2-3-4-5-6-10-13-16-20-17(19)14-11-8-7-9-12-15-18/h6,10,18H,2-5,7-9,11-16H2,1H3/b10-6-.
What are the key properties of [(Z)-non-3-enyl] 8-hydroxyoctanoate?
[(Z)-non-3-enyl] 8-hydroxyoctanoate has a molecular weight of 284.44 g/mol, XLogP of 4.39, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-non-3-enyl] 8-hydroxyoctanoate is sourced from PubChem (CID 172621176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).