[(2R,3S)-3-[(1S)-1-(methoxymethoxy)pentadecyl]oxiran-2-yl]methanol

C20H40O4 — CID 102185892

IUPAC[(2R,3S)-3-[(1S)-1-(methoxymethoxy)pentadecyl]oxiran-2-yl]methanol
SMILESCCCCCCCCCCCCCC[C@H](OCOC)[C@@H]1O[C@@H]1CO
InChIInChI=1S/C20H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(23-17-22-2)20-19(16-21)24-20/h18-21H,3-17H2,1-2H3/t18-,19+,20-/m0/s1
InChIKeyWHOXGPUTBQSGCD-ZCNNSNEGSA-N
MW344.54 g/mol
LogP4.83
Rot. Bonds18

About [(2R,3S)-3-[(1S)-1-(methoxymethoxy)pentadecyl]oxiran-2-yl]methanol

[(2R,3S)-3-[(1S)-1-(methoxymethoxy)pentadecyl]oxiran-2-yl]methanol (PubChem CID 102185892) has the molecular formula C20H40O4 and a molecular weight of 344.54 g/mol. Its IUPAC name is [(2R,3S)-3-[(1S)-1-(methoxymethoxy)pentadecyl]oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S)-3-[(1S)-1-(methoxymethoxy)pentadecyl]oxiran-2-yl]methanol
PubChem CID102185892
Molecular FormulaC20H40O4
Molecular Weight344.54 g/mol
Exact Mass344.29
IUPAC Name[(2R,3S)-3-[(1S)-1-(methoxymethoxy)pentadecyl]oxiran-2-yl]methanol
SMILESCCCCCCCCCCCCCC[C@H](OCOC)[C@@H]1O[C@@H]1CO
InChIInChI=1S/C20H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(23-17-22-2)20-19(16-21)24-20/h18-21H,3-17H2,1-2H3/t18-,19+,20-/m0/s1
InChIKeyWHOXGPUTBQSGCD-ZCNNSNEGSA-N
XLogP4.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.54
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[1-(methoxymethoxy)undecyl]oxolane
CID 87669321
1-(methoxymethoxy)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]heptan-4-ol
CID 89207908
(5S)-5-(methoxymethoxy)hexadecan-1-ol
CID 134973522
(2R,5R)-2-[(1R)-1-(methoxymethoxy)undecyl]-5-[(2R,5S)-5-methyloxolan-2-yl]oxolane
CID 89207909
(2R,3S,4S,5S)-2-(hydroxymethyl)-5-undecan-2-yloxolane-3,4-diol
CID 89443137
2-(methoxymethoxy)nonane
CID 13203850
(2R,3R)-3-(methoxymethoxy)octadecan-2-ol
CID 102259146
2-(1-methoxypentyl)-3-propyloxirane
CID 18795101
(3S,4R,5S,6R)-2-(1-aminododecyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70387872
[(2S,3S)-3-heptyloxiran-2-yl]methanol
CID 11019334
(3S)-3-(methoxymethoxy)decan-2-one
CID 101223791
3-(methoxymethoxy)-2-methylnon-1-ene
CID 542508

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-[(1S)-1-(methoxymethoxy)pentadecyl]oxiran-2-yl]methanol?
The IUPAC name of [(2R,3S)-3-[(1S)-1-(methoxymethoxy)pentadecyl]oxiran-2-yl]methanol (CID 102185892) is [(2R,3S)-3-[(1S)-1-(methoxymethoxy)pentadecyl]oxiran-2-yl]methanol.
What is the SMILES notation for [(2R,3S)-3-[(1S)-1-(methoxymethoxy)pentadecyl]oxiran-2-yl]methanol?
The canonical SMILES for [(2R,3S)-3-[(1S)-1-(methoxymethoxy)pentadecyl]oxiran-2-yl]methanol is CCCCCCCCCCCCCC[C@H](OCOC)[C@@H]1O[C@@H]1CO.
What is the InChIKey of [(2R,3S)-3-[(1S)-1-(methoxymethoxy)pentadecyl]oxiran-2-yl]methanol?
The InChIKey is WHOXGPUTBQSGCD-ZCNNSNEGSA-N. The full InChI is InChI=1S/C20H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(23-17-22-2)20-19(16-21)24-20/h18-21H,3-17H2,1-2H3/t18-,19+,20-/m0/s1.
What are the key properties of [(2R,3S)-3-[(1S)-1-(methoxymethoxy)pentadecyl]oxiran-2-yl]methanol?
[(2R,3S)-3-[(1S)-1-(methoxymethoxy)pentadecyl]oxiran-2-yl]methanol has a molecular weight of 344.54 g/mol, XLogP of 4.83, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-[(1S)-1-(methoxymethoxy)pentadecyl]oxiran-2-yl]methanol is sourced from PubChem (CID 102185892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).