propyl (6R)-6-hydroxynon-8-enoate

C12H22O3 — CID 101023843

IUPACpropyl (6R)-6-hydroxynon-8-enoate
SMILESC=CC[C@H](O)CCCCC(=O)OCCC
InChIInChI=1S/C12H22O3/c1-3-7-11(13)8-5-6-9-12(14)15-10-4-2/h3,11,13H,1,4-10H2,2H3/t11-/m0/s1
InChIKeyQUQJDCNKPISRNA-NSHDSACASA-N
MW214.30 g/mol
LogP2.44
Rot. Bonds9

About propyl (6R)-6-hydroxynon-8-enoate

propyl (6R)-6-hydroxynon-8-enoate (PubChem CID 101023843) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is propyl (6R)-6-hydroxynon-8-enoate.

Molecular Properties

Compound Namepropyl (6R)-6-hydroxynon-8-enoate
PubChem CID101023843
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Namepropyl (6R)-6-hydroxynon-8-enoate
SMILESC=CC[C@H](O)CCCCC(=O)OCCC
InChIInChI=1S/C12H22O3/c1-3-7-11(13)8-5-6-9-12(14)15-10-4-2/h3,11,13H,1,4-10H2,2H3/t11-/m0/s1
InChIKeyQUQJDCNKPISRNA-NSHDSACASA-N
XLogP2.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.44
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

2-(15-hydroxyoctadecanoyloxy)ethyl 15-hydroxyoctadecanoate
CID 166706766
6-(10-hydroxyoctadecanoyloxy)hexyl 10-hydroxyoctadecanoate
CID 87579324
[(12R)-12-hydroxyoctadecyl] docosanoate
CID 98048529
dotriacontyl 12-hydroxyoctadecanoate
CID 139650763
octahexacontyl 12-hydroxyoctadecanoate
CID 177467118
12-hydroxyoctadecyl octadecanoate
CID 87534486
octadecyl 13-hydroxyoctadecanoate
CID 139650754
propyl 10-methylundecanoate
CID 138489997
(18-oxo-18-propoxyoctadecan-7-yl) 12-hydroxyoctadecanoate;propyl 12-hydroxyoctadecanoate
CID 158185605
[(E)-octadec-9-enyl] (Z,12R)-12-hydroxyoctadec-9-enoate
CID 124524443
[(Z,12R)-12-hydroxyoctadec-9-enyl] octatriacontanoate
CID 168953362
[(Z,12R)-12-hydroxyoctadec-9-enyl] hexadecanoate
CID 168953438

Frequently Asked Questions

What is the IUPAC name of propyl (6R)-6-hydroxynon-8-enoate?
The IUPAC name of propyl (6R)-6-hydroxynon-8-enoate (CID 101023843) is propyl (6R)-6-hydroxynon-8-enoate.
What is the SMILES notation for propyl (6R)-6-hydroxynon-8-enoate?
The canonical SMILES for propyl (6R)-6-hydroxynon-8-enoate is C=CC[C@H](O)CCCCC(=O)OCCC.
What is the InChIKey of propyl (6R)-6-hydroxynon-8-enoate?
The InChIKey is QUQJDCNKPISRNA-NSHDSACASA-N. The full InChI is InChI=1S/C12H22O3/c1-3-7-11(13)8-5-6-9-12(14)15-10-4-2/h3,11,13H,1,4-10H2,2H3/t11-/m0/s1.
What are the key properties of propyl (6R)-6-hydroxynon-8-enoate?
propyl (6R)-6-hydroxynon-8-enoate has a molecular weight of 214.30 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (6R)-6-hydroxynon-8-enoate is sourced from PubChem (CID 101023843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).