(1R,2S,6S,8S,10R)-10-methoxy-5,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one

C9H12O5 — CID 11019875

IUPAC(1R,2S,6S,8S,10R)-10-methoxy-5,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one
SMILESCO[C@H]1C[C@H]2[C@@H](O1)O[C@H]1OC(=O)C[C@H]12
InChIInChI=1S/C9H12O5/c1-11-7-3-5-4-2-6(10)12-8(4)14-9(5)13-7/h4-5,7-9H,2-3H2,1H3/t4-,5+,7+,8+,9-/m0/s1
InChIKeyGUZDDNOKQJEVEF-QCFOWSJWSA-N
MW200.19 g/mol
LogP0.24
Rot. Bonds1

About (1R,2S,6S,8S,10R)-10-methoxy-5,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one

(1R,2S,6S,8S,10R)-10-methoxy-5,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one (PubChem CID 11019875) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is (1R,2S,6S,8S,10R)-10-methoxy-5,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one.

Molecular Properties

Compound Name(1R,2S,6S,8S,10R)-10-methoxy-5,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one
PubChem CID11019875
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Name(1R,2S,6S,8S,10R)-10-methoxy-5,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one
SMILESCO[C@H]1C[C@H]2[C@@H](O1)O[C@H]1OC(=O)C[C@H]12
InChIInChI=1S/C9H12O5/c1-11-7-3-5-4-2-6(10)12-8(4)14-9(5)13-7/h4-5,7-9H,2-3H2,1H3/t4-,5+,7+,8+,9-/m0/s1
InChIKeyGUZDDNOKQJEVEF-QCFOWSJWSA-N
XLogP0.24
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,6S,8S,10R)-10-methoxy-5,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one?
The IUPAC name of (1R,2S,6S,8S,10R)-10-methoxy-5,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one (CID 11019875) is (1R,2S,6S,8S,10R)-10-methoxy-5,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one.
What is the SMILES notation for (1R,2S,6S,8S,10R)-10-methoxy-5,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one?
The canonical SMILES for (1R,2S,6S,8S,10R)-10-methoxy-5,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one is CO[C@H]1C[C@H]2[C@@H](O1)O[C@H]1OC(=O)C[C@H]12.
What is the InChIKey of (1R,2S,6S,8S,10R)-10-methoxy-5,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one?
The InChIKey is GUZDDNOKQJEVEF-QCFOWSJWSA-N. The full InChI is InChI=1S/C9H12O5/c1-11-7-3-5-4-2-6(10)12-8(4)14-9(5)13-7/h4-5,7-9H,2-3H2,1H3/t4-,5+,7+,8+,9-/m0/s1.
What are the key properties of (1R,2S,6S,8S,10R)-10-methoxy-5,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one?
(1R,2S,6S,8S,10R)-10-methoxy-5,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one has a molecular weight of 200.19 g/mol, XLogP of 0.24, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6S,8S,10R)-10-methoxy-5,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one is sourced from PubChem (CID 11019875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).