3-ethyl-6-(methoxymethyl)oxane-2,4,5-triol;1-methoxyoctane-2,3,4,5-tetrol

C18H38O10 — CID 91539266

IUPAC3-ethyl-6-(methoxymethyl)oxane-2,4,5-triol;1-methoxyoctane-2,3,4,5-tetrol
SMILESCCC1C(O)OC(COC)C(O)C1O.CCCC(O)C(O)C(O)C(O)COC
InChIInChI=1S/C9H18O5.C9H20O5/c1-3-5-7(10)8(11)6(4-13-2)14-9(5)12;1-3-4-6(10)8(12)9(13)7(11)5-14-2/h5-12H,3-4H2,1-2H3;6-13H,3-5H2,1-2H3
InChIKeyDZHTYVSEYWPXLV-UHFFFAOYSA-N
MW414.49 g/mol
LogP-2.03
Rot. Bonds10

About 3-ethyl-6-(methoxymethyl)oxane-2,4,5-triol;1-methoxyoctane-2,3,4,5-tetrol

3-ethyl-6-(methoxymethyl)oxane-2,4,5-triol;1-methoxyoctane-2,3,4,5-tetrol (PubChem CID 91539266) has the molecular formula C18H38O10 and a molecular weight of 414.49 g/mol. Its IUPAC name is 3-ethyl-6-(methoxymethyl)oxane-2,4,5-triol;1-methoxyoctane-2,3,4,5-tetrol.

Molecular Properties

Compound Name3-ethyl-6-(methoxymethyl)oxane-2,4,5-triol;1-methoxyoctane-2,3,4,5-tetrol
PubChem CID91539266
Molecular FormulaC18H38O10
Molecular Weight414.49 g/mol
Exact Mass414.25
IUPAC Name3-ethyl-6-(methoxymethyl)oxane-2,4,5-triol;1-methoxyoctane-2,3,4,5-tetrol
SMILESCCC1C(O)OC(COC)C(O)C1O.CCCC(O)C(O)C(O)C(O)COC
InChIInChI=1S/C9H18O5.C9H20O5/c1-3-5-7(10)8(11)6(4-13-2)14-9(5)12;1-3-4-6(10)8(12)9(13)7(11)5-14-2/h5-12H,3-4H2,1-2H3;6-13H,3-5H2,1-2H3
InChIKeyDZHTYVSEYWPXLV-UHFFFAOYSA-N
XLogP-2.03
TPSA169.30 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.49
LogP ≤ 5-2.03
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Analyze 3-ethyl-6-(methoxymethyl)oxane-2,4,5-triol;1-methoxyoctane-2,3,4,5-tetrol 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

(2S,3S,4S,5S,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol
CID 26176683
CID 159138542
CID 159138542
3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol
CID 6421426
(3R,4S,5R,6R)-6-(methoxymethyl)-3,4-dipropoxyoxane-2,5-diol
CID 91331458
6-(pentan-2-yloxymethyl)oxane-2,3,4,5-tetrol
CID 166946963
decane-4,5,6,7-tetrol
CID 73238857
6-(methoxymethyl)-3-(methylamino)oxane-2,4,5-triol
CID 123282538
(2R)-2-methoxy-6-(methoxymethyl)oxane-3,4,5-triol
CID 58069229
[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 2-hydroxyoctanoate
CID 10805778
1,3-dimethoxyhexan-2-ol
CID 116711716
1-[(2S,3S,4R)-3,4-dihydroxy-1-[3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxyhexan-2-yl]-3-methylurea
CID 71182554
(2R,3S,4S,5S)-2-(chloromethyl)-5-(methoxymethyl)oxolane-3,4-diol
CID 131010758

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(methoxymethyl)oxane-2,4,5-triol;1-methoxyoctane-2,3,4,5-tetrol?
The IUPAC name of 3-ethyl-6-(methoxymethyl)oxane-2,4,5-triol;1-methoxyoctane-2,3,4,5-tetrol (CID 91539266) is 3-ethyl-6-(methoxymethyl)oxane-2,4,5-triol;1-methoxyoctane-2,3,4,5-tetrol.
What is the SMILES notation for 3-ethyl-6-(methoxymethyl)oxane-2,4,5-triol;1-methoxyoctane-2,3,4,5-tetrol?
The canonical SMILES for 3-ethyl-6-(methoxymethyl)oxane-2,4,5-triol;1-methoxyoctane-2,3,4,5-tetrol is CCC1C(O)OC(COC)C(O)C1O.CCCC(O)C(O)C(O)C(O)COC.
What is the InChIKey of 3-ethyl-6-(methoxymethyl)oxane-2,4,5-triol;1-methoxyoctane-2,3,4,5-tetrol?
The InChIKey is DZHTYVSEYWPXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5.C9H20O5/c1-3-5-7(10)8(11)6(4-13-2)14-9(5)12;1-3-4-6(10)8(12)9(13)7(11)5-14-2/h5-12H,3-4H2,1-2H3;6-13H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-6-(methoxymethyl)oxane-2,4,5-triol;1-methoxyoctane-2,3,4,5-tetrol?
3-ethyl-6-(methoxymethyl)oxane-2,4,5-triol;1-methoxyoctane-2,3,4,5-tetrol has a molecular weight of 414.49 g/mol, XLogP of -2.03, 10 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(methoxymethyl)oxane-2,4,5-triol;1-methoxyoctane-2,3,4,5-tetrol is sourced from PubChem (CID 91539266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).