(Z,2R)-2-(methoxymethoxy)octadec-3-enoic acid

C20H38O4 — CID 11057009

IUPAC(Z,2R)-2-(methoxymethoxy)octadec-3-enoic acid
SMILESCCCCCCCCCCCCCC/C=C\[C@@H](OCOC)C(=O)O
InChIInChI=1S/C20H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20(21)22)24-18-23-2/h16-17,19H,3-15,18H2,1-2H3,(H,21,22)/b17-16-/t19-/m1/s1
InChIKeyVLKWUNCVGSDQPK-JJCXBQPYSA-N
MW342.52 g/mol
LogP5.71
Rot. Bonds18

About (Z,2R)-2-(methoxymethoxy)octadec-3-enoic acid

(Z,2R)-2-(methoxymethoxy)octadec-3-enoic acid (PubChem CID 11057009) has the molecular formula C20H38O4 and a molecular weight of 342.52 g/mol. Its IUPAC name is (Z,2R)-2-(methoxymethoxy)octadec-3-enoic acid.

Molecular Properties

Compound Name(Z,2R)-2-(methoxymethoxy)octadec-3-enoic acid
PubChem CID11057009
Molecular FormulaC20H38O4
Molecular Weight342.52 g/mol
Exact Mass342.28
IUPAC Name(Z,2R)-2-(methoxymethoxy)octadec-3-enoic acid
SMILESCCCCCCCCCCCCCC/C=C\[C@@H](OCOC)C(=O)O
InChIInChI=1S/C20H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20(21)22)24-18-23-2/h16-17,19H,3-15,18H2,1-2H3,(H,21,22)/b17-16-/t19-/m1/s1
InChIKeyVLKWUNCVGSDQPK-JJCXBQPYSA-N
XLogP5.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.52
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (Z,2R)-2-(methoxymethoxy)octadec-3-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-non-1-enyl]propanedioic acid
CID 156873732
2-[(Z)-pentadec-1-enyl]propanedioic acid
CID 156873718
2-[(Z)-oct-1-enyl]propanedioic acid
CID 156873601
2-[(E)-dodec-1-enyl]propanedioic acid
CID 22107420
tert-butyl N-[(E,2S,3R)-1-hydroxy-3-(methoxymethoxy)octadec-4-en-2-yl]carbamate
CID 44551220
methyl (E,2R)-2-acetyloxyhexadec-3-enoate
CID 102491537
ethanol;2-oct-1-enylbutanedioic acid
CID 175445551
(E)-2-ethylnon-3-enoic acid
CID 166071468
carbonic acid;(Z)-octadec-9-ene
CID 87599003
2-[(E)-dec-1-enyl]butanedioic acid
CID 6365755
(E)-2-(dimethylamino)icos-3-enoic acid
CID 87586189
2-tetracos-1-enylbutanedioic acid
CID 123737122

Frequently Asked Questions

What is the IUPAC name of (Z,2R)-2-(methoxymethoxy)octadec-3-enoic acid?
The IUPAC name of (Z,2R)-2-(methoxymethoxy)octadec-3-enoic acid (CID 11057009) is (Z,2R)-2-(methoxymethoxy)octadec-3-enoic acid.
What is the SMILES notation for (Z,2R)-2-(methoxymethoxy)octadec-3-enoic acid?
The canonical SMILES for (Z,2R)-2-(methoxymethoxy)octadec-3-enoic acid is CCCCCCCCCCCCCC/C=C\[C@@H](OCOC)C(=O)O.
What is the InChIKey of (Z,2R)-2-(methoxymethoxy)octadec-3-enoic acid?
The InChIKey is VLKWUNCVGSDQPK-JJCXBQPYSA-N. The full InChI is InChI=1S/C20H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20(21)22)24-18-23-2/h16-17,19H,3-15,18H2,1-2H3,(H,21,22)/b17-16-/t19-/m1/s1.
What are the key properties of (Z,2R)-2-(methoxymethoxy)octadec-3-enoic acid?
(Z,2R)-2-(methoxymethoxy)octadec-3-enoic acid has a molecular weight of 342.52 g/mol, XLogP of 5.71, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-2-(methoxymethoxy)octadec-3-enoic acid is sourced from PubChem (CID 11057009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).