(1S,2S,6R,7R)-10,10-dimethoxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol

C11H16O4 — CID 134886496

IUPAC(1S,2S,6R,7R)-10,10-dimethoxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol
SMILESCOC1(OC)[C@@H]2C=C[C@H]1[C@H]1C(O)OC[C@H]12
InChIInChI=1S/C11H16O4/c1-13-11(14-2)7-3-4-8(11)9-6(7)5-15-10(9)12/h3-4,6-10,12H,5H2,1-2H3/t6-,7+,8-,9-,10?/m0/s1
InChIKeyDRPQBNMEUUBHHY-KFNHPLCZSA-N
MW212.24 g/mol
LogP0.37
Rot. Bonds2

About (1S,2S,6R,7R)-10,10-dimethoxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol

(1S,2S,6R,7R)-10,10-dimethoxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol (PubChem CID 134886496) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is (1S,2S,6R,7R)-10,10-dimethoxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol.

Molecular Properties

Compound Name(1S,2S,6R,7R)-10,10-dimethoxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol
PubChem CID134886496
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name(1S,2S,6R,7R)-10,10-dimethoxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol
SMILESCOC1(OC)[C@@H]2C=C[C@H]1[C@H]1C(O)OC[C@H]12
InChIInChI=1S/C11H16O4/c1-13-11(14-2)7-3-4-8(11)9-6(7)5-15-10(9)12/h3-4,6-10,12H,5H2,1-2H3/t6-,7+,8-,9-,10?/m0/s1
InChIKeyDRPQBNMEUUBHHY-KFNHPLCZSA-N
XLogP0.37
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,6R,7R)-10,10-dimethoxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol?
The IUPAC name of (1S,2S,6R,7R)-10,10-dimethoxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol (CID 134886496) is (1S,2S,6R,7R)-10,10-dimethoxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol.
What is the SMILES notation for (1S,2S,6R,7R)-10,10-dimethoxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol?
The canonical SMILES for (1S,2S,6R,7R)-10,10-dimethoxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol is COC1(OC)[C@@H]2C=C[C@H]1[C@H]1C(O)OC[C@H]12.
What is the InChIKey of (1S,2S,6R,7R)-10,10-dimethoxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol?
The InChIKey is DRPQBNMEUUBHHY-KFNHPLCZSA-N. The full InChI is InChI=1S/C11H16O4/c1-13-11(14-2)7-3-4-8(11)9-6(7)5-15-10(9)12/h3-4,6-10,12H,5H2,1-2H3/t6-,7+,8-,9-,10?/m0/s1.
What are the key properties of (1S,2S,6R,7R)-10,10-dimethoxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol?
(1S,2S,6R,7R)-10,10-dimethoxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol has a molecular weight of 212.24 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6R,7R)-10,10-dimethoxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol is sourced from PubChem (CID 134886496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).