2-(hydroxymethyl)-8,10-dimethoxy-3,9-dioxatricyclo[4.4.0.02,4]decan-5-ol

C11H18O6 — CID 14486933

IUPAC2-(hydroxymethyl)-8,10-dimethoxy-3,9-dioxatricyclo[4.4.0.02,4]decan-5-ol
SMILESCOC1CC2C(O)C3OC3(CO)C2C(OC)O1
InChIInChI=1S/C11H18O6/c1-14-6-3-5-7(10(15-2)16-6)11(4-12)9(17-11)8(5)13/h5-10,12-13H,3-4H2,1-2H3
InChIKeyBVYJKUKAFKCKMT-UHFFFAOYSA-N
MW246.26 g/mol
LogP-0.91
Rot. Bonds3

About 2-(hydroxymethyl)-8,10-dimethoxy-3,9-dioxatricyclo[4.4.0.02,4]decan-5-ol

2-(hydroxymethyl)-8,10-dimethoxy-3,9-dioxatricyclo[4.4.0.02,4]decan-5-ol (PubChem CID 14486933) has the molecular formula C11H18O6 and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-(hydroxymethyl)-8,10-dimethoxy-3,9-dioxatricyclo[4.4.0.02,4]decan-5-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-8,10-dimethoxy-3,9-dioxatricyclo[4.4.0.02,4]decan-5-ol
PubChem CID14486933
Molecular FormulaC11H18O6
Molecular Weight246.26 g/mol
Exact Mass246.11
IUPAC Name2-(hydroxymethyl)-8,10-dimethoxy-3,9-dioxatricyclo[4.4.0.02,4]decan-5-ol
SMILESCOC1CC2C(O)C3OC3(CO)C2C(OC)O1
InChIInChI=1S/C11H18O6/c1-14-6-3-5-7(10(15-2)16-6)11(4-12)9(17-11)8(5)13/h5-10,12-13H,3-4H2,1-2H3
InChIKeyBVYJKUKAFKCKMT-UHFFFAOYSA-N
XLogP-0.91
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Rehmaglutin A
CID 5320903
beta-D-Glucopyranoside, (1aS,1bS,2S,6R,6aS,6bS)-octahydro-6-hydroxy-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl
CID 5705531
(1S,3R,4aR,5R,7S,7aS)-1,3-dimethoxy-7-methyl-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,7-diol
CID 14486937
(1R,4S,5S,6S,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol
CID 16082029
(1S,2S,4S,5S,6R,10R)-10-ethoxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decan-5-ol
CID 16082032
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,2S,4R,5R,8R,9S,11R,12R)-11-hydroxy-2-methyl-3,6,10-trioxatetracyclo[6.3.1.02,4.05,12]dodecan-9-yl]oxy]oxane-3,4,5-triol
CID 102252289
Methylscutelloside
CID 54586746
(1S,3S,4S,6S,7S,10S)-3,10-dimethyl-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol
CID 71449448
Patriridoside F
CID 71454805
(1S,3S,4S,6S,7S,10R)-3,10-dimethyl-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol
CID 71456580
Adenosmoside
CID 71716364
(1S,4S,5R,6S,7R,9S,11S)-9-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol
CID 14413755

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-8,10-dimethoxy-3,9-dioxatricyclo[4.4.0.02,4]decan-5-ol?
The IUPAC name of 2-(hydroxymethyl)-8,10-dimethoxy-3,9-dioxatricyclo[4.4.0.02,4]decan-5-ol (CID 14486933) is 2-(hydroxymethyl)-8,10-dimethoxy-3,9-dioxatricyclo[4.4.0.02,4]decan-5-ol.
What is the SMILES notation for 2-(hydroxymethyl)-8,10-dimethoxy-3,9-dioxatricyclo[4.4.0.02,4]decan-5-ol?
The canonical SMILES for 2-(hydroxymethyl)-8,10-dimethoxy-3,9-dioxatricyclo[4.4.0.02,4]decan-5-ol is COC1CC2C(O)C3OC3(CO)C2C(OC)O1.
What is the InChIKey of 2-(hydroxymethyl)-8,10-dimethoxy-3,9-dioxatricyclo[4.4.0.02,4]decan-5-ol?
The InChIKey is BVYJKUKAFKCKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O6/c1-14-6-3-5-7(10(15-2)16-6)11(4-12)9(17-11)8(5)13/h5-10,12-13H,3-4H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-8,10-dimethoxy-3,9-dioxatricyclo[4.4.0.02,4]decan-5-ol?
2-(hydroxymethyl)-8,10-dimethoxy-3,9-dioxatricyclo[4.4.0.02,4]decan-5-ol has a molecular weight of 246.26 g/mol, XLogP of -0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-8,10-dimethoxy-3,9-dioxatricyclo[4.4.0.02,4]decan-5-ol is sourced from PubChem (CID 14486933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).