(1R,5S)-2,2-dimethoxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-one

C11H18O4 — CID 10867636

IUPAC(1R,5S)-2,2-dimethoxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-one
SMILESCOC1(OC)C(=O)C[C@]2(C)CC[C@@]1(C)O2
InChIInChI=1S/C11H18O4/c1-9-5-6-10(2,15-9)11(13-3,14-4)8(12)7-9/h5-7H2,1-4H3/t9-,10+/m0/s1
InChIKeyOAQOTMLJWHJZET-VHSXEESVSA-N
MW214.26 g/mol
LogP1.28
Rot. Bonds2

About (1R,5S)-2,2-dimethoxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-one

(1R,5S)-2,2-dimethoxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-one (PubChem CID 10867636) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (1R,5S)-2,2-dimethoxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name(1R,5S)-2,2-dimethoxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-one
PubChem CID10867636
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(1R,5S)-2,2-dimethoxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-one
SMILESCOC1(OC)C(=O)C[C@]2(C)CC[C@@]1(C)O2
InChIInChI=1S/C11H18O4/c1-9-5-6-10(2,15-9)11(13-3,14-4)8(12)7-9/h5-7H2,1-4H3/t9-,10+/m0/s1
InChIKeyOAQOTMLJWHJZET-VHSXEESVSA-N
XLogP1.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (1R,5S)-2,2-dimethoxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-one with MolForge

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Related Compounds

1-Ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]octan-2-one
CID 134936285
1-(5-Methyl-2-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-7-yl)ethanone
CID 14282957
4,4-Dimethoxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-2-one
CID 142913867
(1R,2R,4R,5S)-2-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-3-one
CID 10888609
[(1R,2R,4R,5S)-2-acetyloxy-4-methyl-3-oxo-8-oxabicyclo[3.2.1]octan-2-yl]methyl acetate
CID 10989322
[(1R,2R,4R,5S)-2,4-dimethyl-3-oxo-8-oxabicyclo[3.2.1]octan-2-yl] acetate
CID 11106670

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-2,2-dimethoxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-one?
The IUPAC name of (1R,5S)-2,2-dimethoxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-one (CID 10867636) is (1R,5S)-2,2-dimethoxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for (1R,5S)-2,2-dimethoxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-one?
The canonical SMILES for (1R,5S)-2,2-dimethoxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-one is COC1(OC)C(=O)C[C@]2(C)CC[C@@]1(C)O2.
What is the InChIKey of (1R,5S)-2,2-dimethoxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-one?
The InChIKey is OAQOTMLJWHJZET-VHSXEESVSA-N. The full InChI is InChI=1S/C11H18O4/c1-9-5-6-10(2,15-9)11(13-3,14-4)8(12)7-9/h5-7H2,1-4H3/t9-,10+/m0/s1.
What are the key properties of (1R,5S)-2,2-dimethoxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-one?
(1R,5S)-2,2-dimethoxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-one has a molecular weight of 214.26 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-2,2-dimethoxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 10867636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).