2-(hydroxymethyl)-6-(3-methylbut-2-enoxy)oxane-3,4,5-triol

C11H20O6 — CID 14239303

IUPAC2-(hydroxymethyl)-6-(3-methylbut-2-enoxy)oxane-3,4,5-triol
SMILESCC(C)=CCOC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C11H20O6/c1-6(2)3-4-16-11-10(15)9(14)8(13)7(5-12)17-11/h3,7-15H,4-5H2,1-2H3
InChIKeyGQJQCKUJCHMTNF-UHFFFAOYSA-N
MW248.27 g/mol
LogP-1.23
Rot. Bonds4

About 2-(hydroxymethyl)-6-(3-methylbut-2-enoxy)oxane-3,4,5-triol

2-(hydroxymethyl)-6-(3-methylbut-2-enoxy)oxane-3,4,5-triol (PubChem CID 14239303) has the molecular formula C11H20O6 and a molecular weight of 248.27 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-(3-methylbut-2-enoxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-(3-methylbut-2-enoxy)oxane-3,4,5-triol
PubChem CID14239303
Molecular FormulaC11H20O6
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name2-(hydroxymethyl)-6-(3-methylbut-2-enoxy)oxane-3,4,5-triol
SMILESCC(C)=CCOC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C11H20O6/c1-6(2)3-4-16-11-10(15)9(14)8(13)7(5-12)17-11/h3,7-15H,4-5H2,1-2H3
InChIKeyGQJQCKUJCHMTNF-UHFFFAOYSA-N
XLogP-1.23
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Geranyl glucoside
CID 10710515
Osmaronin
CID 11032594
(2R,3R,4S,5S,6R)-2-[(2E)-4-hydroxy-3,7-dimethylocta-2,6-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10314695
Geranyl 6-O-alpha-L-arabinofuranosyl-beta-D-glucopyranoside
CID 15624181
Geranyl beta-primeveroside
CID 6443689
(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(2-Methylbut-3-En-2-Yloxy)Oxane-3,4,5-Triol
CID 5316128
Rosiridin
CID 25068281
Neryl glucoside
CID 18688993
Neryl rhamnosyl-glucoside
CID 131750856
Prenyl arabinosyl-(1->6)-glucoside
CID 131753120
1-Octen-3-yl glucoside
CID 73817234
[(E)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enyl] phosphono hydrogen phosphate
CID 56949697

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-(3-methylbut-2-enoxy)oxane-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-6-(3-methylbut-2-enoxy)oxane-3,4,5-triol (CID 14239303) is 2-(hydroxymethyl)-6-(3-methylbut-2-enoxy)oxane-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-6-(3-methylbut-2-enoxy)oxane-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-6-(3-methylbut-2-enoxy)oxane-3,4,5-triol is CC(C)=CCOC1OC(CO)C(O)C(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)-6-(3-methylbut-2-enoxy)oxane-3,4,5-triol?
The InChIKey is GQJQCKUJCHMTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O6/c1-6(2)3-4-16-11-10(15)9(14)8(13)7(5-12)17-11/h3,7-15H,4-5H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-6-(3-methylbut-2-enoxy)oxane-3,4,5-triol?
2-(hydroxymethyl)-6-(3-methylbut-2-enoxy)oxane-3,4,5-triol has a molecular weight of 248.27 g/mol, XLogP of -1.23, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-(3-methylbut-2-enoxy)oxane-3,4,5-triol is sourced from PubChem (CID 14239303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).