methyl (E,3S)-3-hydroxydec-5-enoate

C11H20O3 — CID 642276

IUPACmethyl (E,3S)-3-hydroxydec-5-enoate
SMILESCCCC/C=C/C[C@H](O)CC(=O)OC
InChIInChI=1S/C11H20O3/c1-3-4-5-6-7-8-10(12)9-11(13)14-2/h6-7,10,12H,3-5,8-9H2,1-2H3/b7-6+/t10-/m0/s1
InChIKeyASCLXSFPIXRXLG-FGEFZZPRSA-N
MW200.28 g/mol
LogP2.05
Rot. Bonds7

About methyl (E,3S)-3-hydroxydec-5-enoate

methyl (E,3S)-3-hydroxydec-5-enoate (PubChem CID 642276) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl (E,3S)-3-hydroxydec-5-enoate.

Molecular Properties

Compound Namemethyl (E,3S)-3-hydroxydec-5-enoate
PubChem CID642276
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Namemethyl (E,3S)-3-hydroxydec-5-enoate
SMILESCCCC/C=C/C[C@H](O)CC(=O)OC
InChIInChI=1S/C11H20O3/c1-3-4-5-6-7-8-10(12)9-11(13)14-2/h6-7,10,12H,3-5,8-9H2,1-2H3/b7-6+/t10-/m0/s1
InChIKeyASCLXSFPIXRXLG-FGEFZZPRSA-N
XLogP2.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.05
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(S)-Hete
CID 9548883
12-Hydroxy-5,8,14-eicosatrienoic acid
CID 5283149
18-Hydroxyeicosatetraenoic acid
CID 6442778
(5Z,8Z,11Z,14Z)-17-Hydroxy-5,8,11,14-eicosatetraenoic acid
CID 6442740
(5Z,8Z,11Z,14Z,18R)-18-hydroxyicosa-5,8,11,14-tetraenoic acid
CID 11141754
19-Hete
CID 20839325
3R-hydroxy-5Z-dodecenoic acid
CID 5312807
18-Hydroxyarachidonate
CID 56928002
19-Hydroxyarachidonate
CID 72551556
17-Hydroxyarachidonate
CID 119058170
18(R)-Hete(1-)
CID 25321064
18-Hydroxyarachidonic acid
CID 183135

Frequently Asked Questions

What is the IUPAC name of methyl (E,3S)-3-hydroxydec-5-enoate?
The IUPAC name of methyl (E,3S)-3-hydroxydec-5-enoate (CID 642276) is methyl (E,3S)-3-hydroxydec-5-enoate.
What is the SMILES notation for methyl (E,3S)-3-hydroxydec-5-enoate?
The canonical SMILES for methyl (E,3S)-3-hydroxydec-5-enoate is CCCC/C=C/C[C@H](O)CC(=O)OC.
What is the InChIKey of methyl (E,3S)-3-hydroxydec-5-enoate?
The InChIKey is ASCLXSFPIXRXLG-FGEFZZPRSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-4-5-6-7-8-10(12)9-11(13)14-2/h6-7,10,12H,3-5,8-9H2,1-2H3/b7-6+/t10-/m0/s1.
What are the key properties of methyl (E,3S)-3-hydroxydec-5-enoate?
methyl (E,3S)-3-hydroxydec-5-enoate has a molecular weight of 200.28 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,3S)-3-hydroxydec-5-enoate is sourced from PubChem (CID 642276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).