(1R,2R,4R,5S)-2-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-3-one

C10H16O3 — CID 10888609

IUPAC(1R,2R,4R,5S)-2-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-3-one
SMILESCO[C@@]1(C)C(=O)[C@H](C)[C@@H]2CC[C@H]1O2
InChIInChI=1S/C10H16O3/c1-6-7-4-5-8(13-7)10(2,12-3)9(6)11/h6-8H,4-5H2,1-3H3/t6-,7+,8-,10-/m1/s1
InChIKeyREIGYMDTZVZMTO-IBCQBUCCSA-N
MW184.23 g/mol
LogP1.16
Rot. Bonds1

About (1R,2R,4R,5S)-2-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-3-one

(1R,2R,4R,5S)-2-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-3-one (PubChem CID 10888609) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (1R,2R,4R,5S)-2-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name(1R,2R,4R,5S)-2-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-3-one
PubChem CID10888609
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(1R,2R,4R,5S)-2-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-3-one
SMILESCO[C@@]1(C)C(=O)[C@H](C)[C@@H]2CC[C@H]1O2
InChIInChI=1S/C10H16O3/c1-6-7-4-5-8(13-7)10(2,12-3)9(6)11/h6-8H,4-5H2,1-3H3/t6-,7+,8-,10-/m1/s1
InChIKeyREIGYMDTZVZMTO-IBCQBUCCSA-N
XLogP1.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,2R,4R,5S)-2-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-3-one with MolForge

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Related Compounds

4,5,7,7-Tetramethyl-6,8-dioxabicyclo[3.2.1]octan-2-one
CID 10241485
(1S,4S,5S,7S)-7-methyl-1-(3-oxobutyl)-4-propan-2-yl-4-(2,2,2-trifluoroethoxy)-8-oxabicyclo[3.2.1]octan-3-one
CID 11617236
(1S,2R,5R,7S)-2-[tert-butyl(dimethyl)silyl]oxy-1,5,7-trimethyl-8-oxabicyclo[3.2.1]octan-3-one
CID 10780450
(1R,5R,7R)-7-butoxy-5-methyl-8-oxabicyclo[3.2.1]octan-2-one
CID 101436876
(1S,5R,8S)-7-methoxy-11-oxatricyclo[6.2.1.01,5]undecan-9-one
CID 102397215
(1R,5S)-5-methyl-8-oxabicyclo[3.2.1]octan-6-one
CID 134872680
(1R,5S)-1-methyl-8-oxabicyclo[3.2.1]octan-6-one
CID 134931511
(1S,5R,7S,8S)-7-methoxy-11-oxatricyclo[6.2.1.01,5]undecan-9-one
CID 164679940
(1S,5R,7R,8S)-7-methoxy-11-oxatricyclo[6.2.1.01,5]undecan-9-one
CID 164680027
1-(5-Methyl-2-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-7-yl)ethanone
CID 14282957
6-(3,8-Dioxabicyclo[3.2.1]octan-2-yl)-3-methylhexan-2-one
CID 23310800
(1S,5R)-1-(ethoxymethyl)-8-oxabicyclo[3.2.1]octane-2,4-dione
CID 59562672

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R,5S)-2-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-3-one?
The IUPAC name of (1R,2R,4R,5S)-2-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-3-one (CID 10888609) is (1R,2R,4R,5S)-2-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for (1R,2R,4R,5S)-2-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-3-one?
The canonical SMILES for (1R,2R,4R,5S)-2-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-3-one is CO[C@@]1(C)C(=O)[C@H](C)[C@@H]2CC[C@H]1O2.
What is the InChIKey of (1R,2R,4R,5S)-2-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-3-one?
The InChIKey is REIGYMDTZVZMTO-IBCQBUCCSA-N. The full InChI is InChI=1S/C10H16O3/c1-6-7-4-5-8(13-7)10(2,12-3)9(6)11/h6-8H,4-5H2,1-3H3/t6-,7+,8-,10-/m1/s1.
What are the key properties of (1R,2R,4R,5S)-2-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-3-one?
(1R,2R,4R,5S)-2-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-3-one has a molecular weight of 184.23 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R,5S)-2-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 10888609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).