methyl (11S)-11-hydroxyhexadecanoate

C17H34O3 — CID 10493478

IUPACmethyl (11S)-11-hydroxyhexadecanoate
SMILESCCCCC[C@H](O)CCCCCCCCCC(=O)OC
InChIInChI=1S/C17H34O3/c1-3-4-10-13-16(18)14-11-8-6-5-7-9-12-15-17(19)20-2/h16,18H,3-15H2,1-2H3/t16-/m0/s1
InChIKeyHVZSXWZMSOPRCP-INIZCTEOSA-N
MW286.46 g/mol
LogP4.61
Rot. Bonds14

About methyl (11S)-11-hydroxyhexadecanoate

methyl (11S)-11-hydroxyhexadecanoate (PubChem CID 10493478) has the molecular formula C17H34O3 and a molecular weight of 286.46 g/mol. Its IUPAC name is methyl (11S)-11-hydroxyhexadecanoate.

Molecular Properties

Compound Namemethyl (11S)-11-hydroxyhexadecanoate
PubChem CID10493478
Molecular FormulaC17H34O3
Molecular Weight286.46 g/mol
Exact Mass286.25
IUPAC Namemethyl (11S)-11-hydroxyhexadecanoate
SMILESCCCCC[C@H](O)CCCCCCCCCC(=O)OC
InChIInChI=1S/C17H34O3/c1-3-4-10-13-16(18)14-11-8-6-5-7-9-12-15-17(19)20-2/h16,18H,3-15H2,1-2H3/t16-/m0/s1
InChIKeyHVZSXWZMSOPRCP-INIZCTEOSA-N
XLogP4.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl (9R)-9-hydroxydocosanoate
CID 134814034
methyl 8-hydroxyhexadecanoate
CID 11323641
methyl 9-hydroxyoctadecanoate
CID 593159
methyl (12S,15S)-12,15-dihydroxydocosanoate
CID 10475282
methyl 4-hydroxyoctadecanoate
CID 559005
(18-methoxy-18-oxooctadecan-7-yl) 12-hydroxyoctadecanoate
CID 88854004
methyl (12R,13S)-12,13-dihydroxyoctadecanoate
CID 101047817
methyl 10-hydroxy-12-oxooctadecanoate
CID 101174504
methyl (Z)-9-hydroxyoctadec-12-enoate
CID 13406970
methyl (12R)-9,10,12-trihydroxyoctadecanoate
CID 164820863
decanoyl 7-hydroxyoctacosanoate
CID 91199944
hexadecanoyl 9-hydroxyheptadecanoate
CID 150036681

Frequently Asked Questions

What is the IUPAC name of methyl (11S)-11-hydroxyhexadecanoate?
The IUPAC name of methyl (11S)-11-hydroxyhexadecanoate (CID 10493478) is methyl (11S)-11-hydroxyhexadecanoate.
What is the SMILES notation for methyl (11S)-11-hydroxyhexadecanoate?
The canonical SMILES for methyl (11S)-11-hydroxyhexadecanoate is CCCCC[C@H](O)CCCCCCCCCC(=O)OC.
What is the InChIKey of methyl (11S)-11-hydroxyhexadecanoate?
The InChIKey is HVZSXWZMSOPRCP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H34O3/c1-3-4-10-13-16(18)14-11-8-6-5-7-9-12-15-17(19)20-2/h16,18H,3-15H2,1-2H3/t16-/m0/s1.
What are the key properties of methyl (11S)-11-hydroxyhexadecanoate?
methyl (11S)-11-hydroxyhexadecanoate has a molecular weight of 286.46 g/mol, XLogP of 4.61, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (11S)-11-hydroxyhexadecanoate is sourced from PubChem (CID 10493478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).