methyl 10-hydroxy-12-oxooctadecanoate

C19H36O4 — CID 101174504

IUPACmethyl 10-hydroxy-12-oxooctadecanoate
SMILESCCCCCCC(=O)CC(O)CCCCCCCCC(=O)OC
InChIInChI=1S/C19H36O4/c1-3-4-5-10-13-17(20)16-18(21)14-11-8-6-7-9-12-15-19(22)23-2/h18,21H,3-16H2,1-2H3
InChIKeyNVPLDECHLZAYTI-UHFFFAOYSA-N
MW328.49 g/mol
LogP4.57
Rot. Bonds16

About methyl 10-hydroxy-12-oxooctadecanoate

methyl 10-hydroxy-12-oxooctadecanoate (PubChem CID 101174504) has the molecular formula C19H36O4 and a molecular weight of 328.49 g/mol. Its IUPAC name is methyl 10-hydroxy-12-oxooctadecanoate.

Molecular Properties

Compound Namemethyl 10-hydroxy-12-oxooctadecanoate
PubChem CID101174504
Molecular FormulaC19H36O4
Molecular Weight328.49 g/mol
Exact Mass328.26
IUPAC Namemethyl 10-hydroxy-12-oxooctadecanoate
SMILESCCCCCCC(=O)CC(O)CCCCCCCCC(=O)OC
InChIInChI=1S/C19H36O4/c1-3-4-5-10-13-17(20)16-18(21)14-11-8-6-7-9-12-15-19(22)23-2/h18,21H,3-16H2,1-2H3
InChIKeyNVPLDECHLZAYTI-UHFFFAOYSA-N
XLogP4.57
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (11S)-11-hydroxyhexadecanoate
CID 10493478
6-hydroxypentacosan-8-one
CID 131751819
11-hydroxynonadecan-9-one
CID 100944351
6,13,24,31-tetrahydroxyhexatriacontane-8,15,22,29-tetrone
CID 163056640
methyl (12S,15S)-12,15-dihydroxydocosanoate
CID 10475282
methyl 4-hydroxyoctadecanoate
CID 559005
methyl (12R,13S)-12,13-dihydroxyoctadecanoate
CID 101047817
4-hydroxytricosan-6-one
CID 131751829
methyl 7-oxoicosanoate
CID 86186885

Frequently Asked Questions

What is the IUPAC name of methyl 10-hydroxy-12-oxooctadecanoate?
The IUPAC name of methyl 10-hydroxy-12-oxooctadecanoate (CID 101174504) is methyl 10-hydroxy-12-oxooctadecanoate.
What is the SMILES notation for methyl 10-hydroxy-12-oxooctadecanoate?
The canonical SMILES for methyl 10-hydroxy-12-oxooctadecanoate is CCCCCCC(=O)CC(O)CCCCCCCCC(=O)OC.
What is the InChIKey of methyl 10-hydroxy-12-oxooctadecanoate?
The InChIKey is NVPLDECHLZAYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O4/c1-3-4-5-10-13-17(20)16-18(21)14-11-8-6-7-9-12-15-19(22)23-2/h18,21H,3-16H2,1-2H3.
What are the key properties of methyl 10-hydroxy-12-oxooctadecanoate?
methyl 10-hydroxy-12-oxooctadecanoate has a molecular weight of 328.49 g/mol, XLogP of 4.57, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-hydroxy-12-oxooctadecanoate is sourced from PubChem (CID 101174504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).