(1S,2R,6S,8S,10R)-10-methoxy-4,4-dimethyl-3,5,9-trioxatricyclo[6.3.0.02,6]undecane

C11H18O4 — CID 10584728

IUPAC(1S,2R,6S,8S,10R)-10-methoxy-4,4-dimethyl-3,5,9-trioxatricyclo[6.3.0.02,6]undecane
SMILESCO[C@H]1C[C@@H]2[C@H]3OC(C)(C)O[C@H]3C[C@@H]2O1
InChIInChI=1S/C11H18O4/c1-11(2)14-8-5-7-6(10(8)15-11)4-9(12-3)13-7/h6-10H,4-5H2,1-3H3/t6-,7-,8-,9+,10+/m0/s1
InChIKeyQNTWHVSDYSJNFY-RXKWGBCNSA-N
MW214.26 g/mol
LogP1.29
Rot. Bonds1

About (1S,2R,6S,8S,10R)-10-methoxy-4,4-dimethyl-3,5,9-trioxatricyclo[6.3.0.02,6]undecane

(1S,2R,6S,8S,10R)-10-methoxy-4,4-dimethyl-3,5,9-trioxatricyclo[6.3.0.02,6]undecane (PubChem CID 10584728) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (1S,2R,6S,8S,10R)-10-methoxy-4,4-dimethyl-3,5,9-trioxatricyclo[6.3.0.02,6]undecane.

Molecular Properties

Compound Name(1S,2R,6S,8S,10R)-10-methoxy-4,4-dimethyl-3,5,9-trioxatricyclo[6.3.0.02,6]undecane
PubChem CID10584728
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(1S,2R,6S,8S,10R)-10-methoxy-4,4-dimethyl-3,5,9-trioxatricyclo[6.3.0.02,6]undecane
SMILESCO[C@H]1C[C@@H]2[C@H]3OC(C)(C)O[C@H]3C[C@@H]2O1
InChIInChI=1S/C11H18O4/c1-11(2)14-8-5-7-6(10(8)15-11)4-9(12-3)13-7/h6-10H,4-5H2,1-3H3/t6-,7-,8-,9+,10+/m0/s1
InChIKeyQNTWHVSDYSJNFY-RXKWGBCNSA-N
XLogP1.29
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,6S,8S,10R)-10-methoxy-4,4-dimethyl-3,5,9-trioxatricyclo[6.3.0.02,6]undecane?
The IUPAC name of (1S,2R,6S,8S,10R)-10-methoxy-4,4-dimethyl-3,5,9-trioxatricyclo[6.3.0.02,6]undecane (CID 10584728) is (1S,2R,6S,8S,10R)-10-methoxy-4,4-dimethyl-3,5,9-trioxatricyclo[6.3.0.02,6]undecane.
What is the SMILES notation for (1S,2R,6S,8S,10R)-10-methoxy-4,4-dimethyl-3,5,9-trioxatricyclo[6.3.0.02,6]undecane?
The canonical SMILES for (1S,2R,6S,8S,10R)-10-methoxy-4,4-dimethyl-3,5,9-trioxatricyclo[6.3.0.02,6]undecane is CO[C@H]1C[C@@H]2[C@H]3OC(C)(C)O[C@H]3C[C@@H]2O1.
What is the InChIKey of (1S,2R,6S,8S,10R)-10-methoxy-4,4-dimethyl-3,5,9-trioxatricyclo[6.3.0.02,6]undecane?
The InChIKey is QNTWHVSDYSJNFY-RXKWGBCNSA-N. The full InChI is InChI=1S/C11H18O4/c1-11(2)14-8-5-7-6(10(8)15-11)4-9(12-3)13-7/h6-10H,4-5H2,1-3H3/t6-,7-,8-,9+,10+/m0/s1.
What are the key properties of (1S,2R,6S,8S,10R)-10-methoxy-4,4-dimethyl-3,5,9-trioxatricyclo[6.3.0.02,6]undecane?
(1S,2R,6S,8S,10R)-10-methoxy-4,4-dimethyl-3,5,9-trioxatricyclo[6.3.0.02,6]undecane has a molecular weight of 214.26 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6S,8S,10R)-10-methoxy-4,4-dimethyl-3,5,9-trioxatricyclo[6.3.0.02,6]undecane is sourced from PubChem (CID 10584728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).