(2R,3R)-3-(methoxymethoxy)octadecan-2-ol

C20H42O3 — CID 102259146

IUPAC(2R,3R)-3-(methoxymethoxy)octadecan-2-ol
SMILESCCCCCCCCCCCCCCC[C@@H](OCOC)[C@@H](C)O
InChIInChI=1S/C20H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(19(2)21)23-18-22-3/h19-21H,4-18H2,1-3H3/t19-,20-/m1/s1
InChIKeyFFCUICJNIDUBJF-WOJBJXKFSA-N
MW330.55 g/mol
LogP5.84
Rot. Bonds18

About (2R,3R)-3-(methoxymethoxy)octadecan-2-ol

(2R,3R)-3-(methoxymethoxy)octadecan-2-ol (PubChem CID 102259146) has the molecular formula C20H42O3 and a molecular weight of 330.55 g/mol. Its IUPAC name is (2R,3R)-3-(methoxymethoxy)octadecan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-(methoxymethoxy)octadecan-2-ol
PubChem CID102259146
Molecular FormulaC20H42O3
Molecular Weight330.55 g/mol
Exact Mass330.31
IUPAC Name(2R,3R)-3-(methoxymethoxy)octadecan-2-ol
SMILESCCCCCCCCCCCCCCC[C@@H](OCOC)[C@@H](C)O
InChIInChI=1S/C20H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(19(2)21)23-18-22-3/h19-21H,4-18H2,1-3H3/t19-,20-/m1/s1
InChIKeyFFCUICJNIDUBJF-WOJBJXKFSA-N
XLogP5.84
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.55
LogP ≤ 55.84
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'}

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Related Compounds

3-(2-hydroxytetradecan-3-yloxy)tetradecan-2-ol
CID 141007473
2-(methoxymethoxy)nonane
CID 13203850
(2R,3R,5S)-2,3-bis(methoxymethoxy)tetradecane-1,5-diol
CID 71479585
(2R)-2-(methoxymethoxy)butane-1,3-diol
CID 87662516
2-methoxynonane-1,1-diol
CID 175114695
(4R,5R)-4-hydroxy-N-methoxy-5-(methoxymethoxy)-N-methylheptadecanamide
CID 11463425
(6R,7R)-6,7-bis(methoxymethoxy)nonan-2-ol
CID 72737093
(5S)-5-(methoxymethoxy)hexadecan-1-ol
CID 134973522
(E,4S,5S)-4-(methoxymethoxy)undec-2-en-5-ol
CID 134993005
(3S)-3-(methoxymethoxy)decan-2-one
CID 101223791
3-(methoxymethoxy)-2-methylnon-1-ene
CID 542508
ethyl (2R,3S,4S)-2-(hexadecanoylamino)-3-hydroxy-4-(methoxymethoxy)octadecanoate
CID 10580001

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(methoxymethoxy)octadecan-2-ol?
The IUPAC name of (2R,3R)-3-(methoxymethoxy)octadecan-2-ol (CID 102259146) is (2R,3R)-3-(methoxymethoxy)octadecan-2-ol.
What is the SMILES notation for (2R,3R)-3-(methoxymethoxy)octadecan-2-ol?
The canonical SMILES for (2R,3R)-3-(methoxymethoxy)octadecan-2-ol is CCCCCCCCCCCCCCC[C@@H](OCOC)[C@@H](C)O.
What is the InChIKey of (2R,3R)-3-(methoxymethoxy)octadecan-2-ol?
The InChIKey is FFCUICJNIDUBJF-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(19(2)21)23-18-22-3/h19-21H,4-18H2,1-3H3/t19-,20-/m1/s1.
What are the key properties of (2R,3R)-3-(methoxymethoxy)octadecan-2-ol?
(2R,3R)-3-(methoxymethoxy)octadecan-2-ol has a molecular weight of 330.55 g/mol, XLogP of 5.84, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(methoxymethoxy)octadecan-2-ol is sourced from PubChem (CID 102259146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).