(1R,5R)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one

C8H10O3 — CID 11126469

IUPAC(1R,5R)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one
SMILESC[C@@]12C=CC(=O)[C@@](C)(CO1)O2
InChIInChI=1S/C8H10O3/c1-7-5-10-8(2,11-7)4-3-6(7)9/h3-4H,5H2,1-2H3/t7-,8-/m1/s1
InChIKeyGZPAYVAWMOYYMS-HTQZYQBOSA-N
MW154.16 g/mol
LogP0.65
Rot. Bonds

About (1R,5R)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one

(1R,5R)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one (PubChem CID 11126469) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (1R,5R)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one.

Molecular Properties

Compound Name(1R,5R)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one
PubChem CID11126469
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(1R,5R)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one
SMILESC[C@@]12C=CC(=O)[C@@](C)(CO1)O2
InChIInChI=1S/C8H10O3/c1-7-5-10-8(2,11-7)4-3-6(7)9/h3-4H,5H2,1-2H3/t7-,8-/m1/s1
InChIKeyGZPAYVAWMOYYMS-HTQZYQBOSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7,7-Dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one
CID 44324183
(1S,5S,7R)-7-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one
CID 11126662
7-Ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one
CID 85408430
3-Methyl-7-oxo-1,4-dioxaspiro[4.4]non-8-ene-3-carbaldehyde
CID 20506994
1,4-Diethyl-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one
CID 160344200
(1R,5R)-5-ethyl-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one
CID 10877335
6-Methoxy-2,2,6-trimethylpyran-3-one
CID 11008346
(1S,5S,7S)-7-methyl-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one
CID 11768652
7-Methyl-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one
CID 73094337
5-Ethyl-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one
CID 85299243
(1S,5S,7R)-7-[(E)-prop-1-enyl]-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one
CID 101489576
(1S,5S,7R)-7-methyl-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one
CID 101489578

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one?
The IUPAC name of (1R,5R)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one (CID 11126469) is (1R,5R)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one.
What is the SMILES notation for (1R,5R)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one?
The canonical SMILES for (1R,5R)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one is C[C@@]12C=CC(=O)[C@@](C)(CO1)O2.
What is the InChIKey of (1R,5R)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one?
The InChIKey is GZPAYVAWMOYYMS-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H10O3/c1-7-5-10-8(2,11-7)4-3-6(7)9/h3-4H,5H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (1R,5R)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one?
(1R,5R)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one has a molecular weight of 154.16 g/mol, XLogP of 0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one is sourced from PubChem (CID 11126469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).