(1R,3S,6R,10R)-6,10-dimethyl-5,11-dioxatricyclo[4.3.2.03,10]undecan-4-one

C11H16O3 — CID 177482890

IUPAC(1R,3S,6R,10R)-6,10-dimethyl-5,11-dioxatricyclo[4.3.2.03,10]undecan-4-one
SMILESC[C@]12CCC[C@@H]3C[C@H](C(=O)O1)[C@]3(C)O2
InChIInChI=1S/C11H16O3/c1-10-5-3-4-7-6-8(9(12)13-10)11(7,2)14-10/h7-8H,3-6H2,1-2H3/t7-,8-,10+,11-/m1/s1
InChIKeyFCESJWPZYLVGEV-DEKFOEGESA-N
MW196.25 g/mol
LogP1.85
Rot. Bonds

About (1R,3S,6R,10R)-6,10-dimethyl-5,11-dioxatricyclo[4.3.2.03,10]undecan-4-one

(1R,3S,6R,10R)-6,10-dimethyl-5,11-dioxatricyclo[4.3.2.03,10]undecan-4-one (PubChem CID 177482890) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (1R,3S,6R,10R)-6,10-dimethyl-5,11-dioxatricyclo[4.3.2.03,10]undecan-4-one.

Molecular Properties

Compound Name(1R,3S,6R,10R)-6,10-dimethyl-5,11-dioxatricyclo[4.3.2.03,10]undecan-4-one
PubChem CID177482890
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(1R,3S,6R,10R)-6,10-dimethyl-5,11-dioxatricyclo[4.3.2.03,10]undecan-4-one
SMILESC[C@]12CCC[C@@H]3C[C@H](C(=O)O1)[C@]3(C)O2
InChIInChI=1S/C11H16O3/c1-10-5-3-4-7-6-8(9(12)13-10)11(7,2)14-10/h7-8H,3-6H2,1-2H3/t7-,8-,10+,11-/m1/s1
InChIKeyFCESJWPZYLVGEV-DEKFOEGESA-N
XLogP1.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,6R,10R)-6,10-dimethyl-5,11-dioxatricyclo[4.3.2.03,10]undecan-4-one?
The IUPAC name of (1R,3S,6R,10R)-6,10-dimethyl-5,11-dioxatricyclo[4.3.2.03,10]undecan-4-one (CID 177482890) is (1R,3S,6R,10R)-6,10-dimethyl-5,11-dioxatricyclo[4.3.2.03,10]undecan-4-one.
What is the SMILES notation for (1R,3S,6R,10R)-6,10-dimethyl-5,11-dioxatricyclo[4.3.2.03,10]undecan-4-one?
The canonical SMILES for (1R,3S,6R,10R)-6,10-dimethyl-5,11-dioxatricyclo[4.3.2.03,10]undecan-4-one is C[C@]12CCC[C@@H]3C[C@H](C(=O)O1)[C@]3(C)O2.
What is the InChIKey of (1R,3S,6R,10R)-6,10-dimethyl-5,11-dioxatricyclo[4.3.2.03,10]undecan-4-one?
The InChIKey is FCESJWPZYLVGEV-DEKFOEGESA-N. The full InChI is InChI=1S/C11H16O3/c1-10-5-3-4-7-6-8(9(12)13-10)11(7,2)14-10/h7-8H,3-6H2,1-2H3/t7-,8-,10+,11-/m1/s1.
What are the key properties of (1R,3S,6R,10R)-6,10-dimethyl-5,11-dioxatricyclo[4.3.2.03,10]undecan-4-one?
(1R,3S,6R,10R)-6,10-dimethyl-5,11-dioxatricyclo[4.3.2.03,10]undecan-4-one has a molecular weight of 196.25 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,6R,10R)-6,10-dimethyl-5,11-dioxatricyclo[4.3.2.03,10]undecan-4-one is sourced from PubChem (CID 177482890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).