12-hydroxyoctadecanoic acid;methoxymethane

C20H42O4 — CID 174365967

IUPAC12-hydroxyoctadecanoic acid;methoxymethane
SMILESCCCCCCC(O)CCCCCCCCCCC(=O)O.COC
InChIInChI=1S/C18H36O3.C2H6O/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;1-3-2/h17,19H,2-16H2,1H3,(H,20,21);1-2H3
InChIKeyPHLUVIHYWGQIMI-UHFFFAOYSA-N
MW346.55 g/mol
LogP5.57
Rot. Bonds16

About 12-hydroxyoctadecanoic acid;methoxymethane

12-hydroxyoctadecanoic acid;methoxymethane (PubChem CID 174365967) has the molecular formula C20H42O4 and a molecular weight of 346.55 g/mol. Its IUPAC name is 12-hydroxyoctadecanoic acid;methoxymethane.

Molecular Properties

Compound Name12-hydroxyoctadecanoic acid;methoxymethane
PubChem CID174365967
Molecular FormulaC20H42O4
Molecular Weight346.55 g/mol
Exact Mass346.31
IUPAC Name12-hydroxyoctadecanoic acid;methoxymethane
SMILESCCCCCCC(O)CCCCCCCCCCC(=O)O.COC
InChIInChI=1S/C18H36O3.C2H6O/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;1-3-2/h17,19H,2-16H2,1H3,(H,20,21);1-2H3
InChIKeyPHLUVIHYWGQIMI-UHFFFAOYSA-N
XLogP5.57
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.55
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

21-hydroxyheptacosanoic acid
CID 169277079
(9R)-9-hydroxytetradecanoic acid
CID 22822871
14-hydroxypentacosanoic acid
CID 169276940
12-hydroxyheptadecanoic acid
CID 15110021
9-hydroxytriacontanoic acid
CID 169277258
hexadecan-7-ol;octadecanoic acid
CID 174589795
9-hydroxyheptadecanoic acid
CID 86012010
11-hydroxydocosanoic acid
CID 86066603
(8S)-8-hydroxytetradecanoic acid
CID 123133458
(7S)-7-hydroxyoctadecanoic acid
CID 162672751
12-hydroxyheptacosanoic acid
CID 169276954
20-hydroxyoctacosanoic acid
CID 169277392

Frequently Asked Questions

What is the IUPAC name of 12-hydroxyoctadecanoic acid;methoxymethane?
The IUPAC name of 12-hydroxyoctadecanoic acid;methoxymethane (CID 174365967) is 12-hydroxyoctadecanoic acid;methoxymethane.
What is the SMILES notation for 12-hydroxyoctadecanoic acid;methoxymethane?
The canonical SMILES for 12-hydroxyoctadecanoic acid;methoxymethane is CCCCCCC(O)CCCCCCCCCCC(=O)O.COC.
What is the InChIKey of 12-hydroxyoctadecanoic acid;methoxymethane?
The InChIKey is PHLUVIHYWGQIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3.C2H6O/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;1-3-2/h17,19H,2-16H2,1H3,(H,20,21);1-2H3.
What are the key properties of 12-hydroxyoctadecanoic acid;methoxymethane?
12-hydroxyoctadecanoic acid;methoxymethane has a molecular weight of 346.55 g/mol, XLogP of 5.57, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxyoctadecanoic acid;methoxymethane is sourced from PubChem (CID 174365967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).