3,5-dimethoxy-4-oxatricyclo[5.2.1.02,6]decane-8,9-diol

C11H18O5 — CID 56698397

IUPAC3,5-dimethoxy-4-oxatricyclo[5.2.1.02,6]decane-8,9-diol
SMILESCOC1OC(OC)C2C3CC(C(O)C3O)C12
InChIInChI=1S/C11H18O5/c1-14-10-6-4-3-5(9(13)8(4)12)7(6)11(15-2)16-10/h4-13H,3H2,1-2H3
InChIKeyIBUDEKJXMJUKEC-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.43
Rot. Bonds2

About 3,5-dimethoxy-4-oxatricyclo[5.2.1.02,6]decane-8,9-diol

3,5-dimethoxy-4-oxatricyclo[5.2.1.02,6]decane-8,9-diol (PubChem CID 56698397) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3,5-dimethoxy-4-oxatricyclo[5.2.1.02,6]decane-8,9-diol.

Molecular Properties

Compound Name3,5-dimethoxy-4-oxatricyclo[5.2.1.02,6]decane-8,9-diol
PubChem CID56698397
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name3,5-dimethoxy-4-oxatricyclo[5.2.1.02,6]decane-8,9-diol
SMILESCOC1OC(OC)C2C3CC(C(O)C3O)C12
InChIInChI=1S/C11H18O5/c1-14-10-6-4-3-5(9(13)8(4)12)7(6)11(15-2)16-10/h4-13H,3H2,1-2H3
InChIKeyIBUDEKJXMJUKEC-UHFFFAOYSA-N
XLogP-0.43
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-4-oxatricyclo[5.2.1.02,6]decane-8,9-diol?
The IUPAC name of 3,5-dimethoxy-4-oxatricyclo[5.2.1.02,6]decane-8,9-diol (CID 56698397) is 3,5-dimethoxy-4-oxatricyclo[5.2.1.02,6]decane-8,9-diol.
What is the SMILES notation for 3,5-dimethoxy-4-oxatricyclo[5.2.1.02,6]decane-8,9-diol?
The canonical SMILES for 3,5-dimethoxy-4-oxatricyclo[5.2.1.02,6]decane-8,9-diol is COC1OC(OC)C2C3CC(C(O)C3O)C12.
What is the InChIKey of 3,5-dimethoxy-4-oxatricyclo[5.2.1.02,6]decane-8,9-diol?
The InChIKey is IBUDEKJXMJUKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-14-10-6-4-3-5(9(13)8(4)12)7(6)11(15-2)16-10/h4-13H,3H2,1-2H3.
What are the key properties of 3,5-dimethoxy-4-oxatricyclo[5.2.1.02,6]decane-8,9-diol?
3,5-dimethoxy-4-oxatricyclo[5.2.1.02,6]decane-8,9-diol has a molecular weight of 230.26 g/mol, XLogP of -0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-4-oxatricyclo[5.2.1.02,6]decane-8,9-diol is sourced from PubChem (CID 56698397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).