methyl 10,18-dihydroxyoctadecanoate

C19H38O4 — CID 129219404

IUPACmethyl 10,18-dihydroxyoctadecanoate
SMILESCOC(=O)CCCCCCCCC(O)CCCCCCCCO
InChIInChI=1S/C19H38O4/c1-23-19(22)16-12-8-3-2-6-10-14-18(21)15-11-7-4-5-9-13-17-20/h18,20-21H,2-17H2,1H3
InChIKeyDBTSJZUVIGCMRU-UHFFFAOYSA-N
MW330.51 g/mol
LogP4.36
Rot. Bonds17

About methyl 10,18-dihydroxyoctadecanoate

methyl 10,18-dihydroxyoctadecanoate (PubChem CID 129219404) has the molecular formula C19H38O4 and a molecular weight of 330.51 g/mol. Its IUPAC name is methyl 10,18-dihydroxyoctadecanoate.

Molecular Properties

Compound Namemethyl 10,18-dihydroxyoctadecanoate
PubChem CID129219404
Molecular FormulaC19H38O4
Molecular Weight330.51 g/mol
Exact Mass330.28
IUPAC Namemethyl 10,18-dihydroxyoctadecanoate
SMILESCOC(=O)CCCCCCCCC(O)CCCCCCCCO
InChIInChI=1S/C19H38O4/c1-23-19(22)16-12-8-3-2-6-10-14-18(21)15-11-7-4-5-9-13-17-20/h18,20-21H,2-17H2,1H3
InChIKeyDBTSJZUVIGCMRU-UHFFFAOYSA-N
XLogP4.36
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.51
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (9S)-9,16-dihydroxyhexadecanoate
CID 162875043
methyl 4,8-dihydroxyoctanoate
CID 174750860
methyl (6R)-6,8-dihydroxyoctanoate
CID 10442514
methyl (9R,10R)-9,10,16-trihydroxyhexadecanoate
CID 10687049
methyl 14-hydroxytetradecanoate
CID 13245690
methyl 9-hydroxyoctadecanoate
CID 593159
methyl 8-hydroxyhexadecanoate
CID 11323641
methyl (9R)-9-hydroxydocosanoate
CID 134814034
methyl (11S)-11-hydroxyhexadecanoate
CID 10493478
methyl 5,7-dihydroxyheptanoate
CID 123290947
methyl (12S,15S)-12,15-dihydroxydocosanoate
CID 10475282
methyl 9,16-dihydroxyhexadecanoate;methyl 10,16-dihydroxyhexadecanoate;methyl (Z)-hexadec-9-enoate;methyl (E)-hexadec-9-enoate;methyl 16-hydroxyhexadecanoate;methyl (Z)-16-hydroxyhexadec-9-enoate;methyl (E)-16-hydroxyhexadec-9-enoate;methyl 9,10,16-trihydroxyhexadecanoate
CID 160677125

Frequently Asked Questions

What is the IUPAC name of methyl 10,18-dihydroxyoctadecanoate?
The IUPAC name of methyl 10,18-dihydroxyoctadecanoate (CID 129219404) is methyl 10,18-dihydroxyoctadecanoate.
What is the SMILES notation for methyl 10,18-dihydroxyoctadecanoate?
The canonical SMILES for methyl 10,18-dihydroxyoctadecanoate is COC(=O)CCCCCCCCC(O)CCCCCCCCO.
What is the InChIKey of methyl 10,18-dihydroxyoctadecanoate?
The InChIKey is DBTSJZUVIGCMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O4/c1-23-19(22)16-12-8-3-2-6-10-14-18(21)15-11-7-4-5-9-13-17-20/h18,20-21H,2-17H2,1H3.
What are the key properties of methyl 10,18-dihydroxyoctadecanoate?
methyl 10,18-dihydroxyoctadecanoate has a molecular weight of 330.51 g/mol, XLogP of 4.36, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10,18-dihydroxyoctadecanoate is sourced from PubChem (CID 129219404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).