(1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one

C8H10O3 — CID 98044810

IUPAC(1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
SMILESO=C1OC[C@H]2[C@H]1[C@H]1CC[C@H]2O1
InChIInChI=1S/C8H10O3/c9-8-7-4(3-10-8)5-1-2-6(7)11-5/h4-7H,1-3H2/t4-,5-,6-,7+/m1/s1
InChIKeyZMBDOIYQGZHKEU-GBNDHIKLSA-N
MW154.16 g/mol
LogP0.34
Rot. Bonds

About (1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one

(1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one (PubChem CID 98044810) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one.

Molecular Properties

Compound Name(1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
PubChem CID98044810
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
SMILESO=C1OC[C@H]2[C@H]1[C@H]1CC[C@H]2O1
InChIInChI=1S/C8H10O3/c9-8-7-4(3-10-8)5-1-2-6(7)11-5/h4-7H,1-3H2/t4-,5-,6-,7+/m1/s1
InChIKeyZMBDOIYQGZHKEU-GBNDHIKLSA-N
XLogP0.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one;5,5-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;4,10-dioxatricyclo[5.2.1.02,6]decan-3-one;ethane;4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 159488642
(2S,6R)-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 57216876
(1R,2S,6S,7R)-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98049502
(1R,2R,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98150795
8-silyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
CID 123560153
(1S,2S,6R,7R)-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 11804959
(1S,2S,6S,7S)-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 124787625
(1S,2R,6R,7S)-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 98519994
(3aR,4R,7R,7aR)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 124524581
(1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-one
CID 124604928
(1R,2R,6R,7S)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-one
CID 124639177
10,10-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 123915338

Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one?
The IUPAC name of (1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one (CID 98044810) is (1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one.
What is the SMILES notation for (1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one?
The canonical SMILES for (1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one is O=C1OC[C@H]2[C@H]1[C@H]1CC[C@H]2O1.
What is the InChIKey of (1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one?
The InChIKey is ZMBDOIYQGZHKEU-GBNDHIKLSA-N. The full InChI is InChI=1S/C8H10O3/c9-8-7-4(3-10-8)5-1-2-6(7)11-5/h4-7H,1-3H2/t4-,5-,6-,7+/m1/s1.
What are the key properties of (1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one?
(1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one has a molecular weight of 154.16 g/mol, XLogP of 0.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one is sourced from PubChem (CID 98044810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).