methyl (1R,5R)-9-oxo-3-oxabicyclo[3.3.1]nonane-7-carboxylate

C10H14O4 — CID 98469521

IUPACmethyl (1R,5R)-9-oxo-3-oxabicyclo[3.3.1]nonane-7-carboxylate
SMILESCOC(=O)C1C[C@@H]2COC[C@@H](C1)C2=O
InChIInChI=1S/C10H14O4/c1-13-10(12)6-2-7-4-14-5-8(3-6)9(7)11/h6-8H,2-5H2,1H3/t7-,8-/m1/s1
InChIKeyDSUVBQLGYGGODF-HTQZYQBOSA-N
MW198.22 g/mol
LogP0.40
Rot. Bonds1

About methyl (1R,5R)-9-oxo-3-oxabicyclo[3.3.1]nonane-7-carboxylate

methyl (1R,5R)-9-oxo-3-oxabicyclo[3.3.1]nonane-7-carboxylate (PubChem CID 98469521) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is methyl (1R,5R)-9-oxo-3-oxabicyclo[3.3.1]nonane-7-carboxylate.

Molecular Properties

Compound Namemethyl (1R,5R)-9-oxo-3-oxabicyclo[3.3.1]nonane-7-carboxylate
PubChem CID98469521
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Namemethyl (1R,5R)-9-oxo-3-oxabicyclo[3.3.1]nonane-7-carboxylate
SMILESCOC(=O)C1C[C@@H]2COC[C@@H](C1)C2=O
InChIInChI=1S/C10H14O4/c1-13-10(12)6-2-7-4-14-5-8(3-6)9(7)11/h6-8H,2-5H2,1H3/t7-,8-/m1/s1
InChIKeyDSUVBQLGYGGODF-HTQZYQBOSA-N
XLogP0.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (1R,5R)-9-oxo-3-oxabicyclo[3.3.1]nonane-7-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 7-tert-butyl-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 56689736
(1S,5S)-9-oxo-3-oxabicyclo[3.3.1]nonane-7-carboxylic acid
CID 98124662
7-methoxy-3-oxabicyclo[3.3.1]nonan-9-one
CID 68652497
methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate
CID 13173315
methyl (1R,5R)-8-hydroxyiminobicyclo[3.2.1]octane-3-carboxylate
CID 98469608
methyl 3-(methylamino)cyclobutane-1-carboxylate
CID 122164415
methyl 5-oxo-2,3,3a,4-tetrahydro-1H-pentalene-2-carboxylate
CID 102368825
dimethyl (3R)-5-acetylcyclohexane-1,3-dicarboxylate
CID 135297796
3,5-bis(methoxycarbonyl)cyclohexane-1-carboxylic acid
CID 23444132
methyl (1S,2R,6R,11R)-12-oxotetracyclo[7.3.1.02,7.06,11]tridecane-4-carboxylate
CID 22836802
dimethyl (1R,3S,5R,7S)-2,6-dioxobicyclo[3.3.1]nonane-3,7-dicarboxylate
CID 721750
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990

Frequently Asked Questions

What is the IUPAC name of methyl (1R,5R)-9-oxo-3-oxabicyclo[3.3.1]nonane-7-carboxylate?
The IUPAC name of methyl (1R,5R)-9-oxo-3-oxabicyclo[3.3.1]nonane-7-carboxylate (CID 98469521) is methyl (1R,5R)-9-oxo-3-oxabicyclo[3.3.1]nonane-7-carboxylate.
What is the SMILES notation for methyl (1R,5R)-9-oxo-3-oxabicyclo[3.3.1]nonane-7-carboxylate?
The canonical SMILES for methyl (1R,5R)-9-oxo-3-oxabicyclo[3.3.1]nonane-7-carboxylate is COC(=O)C1C[C@@H]2COC[C@@H](C1)C2=O.
What is the InChIKey of methyl (1R,5R)-9-oxo-3-oxabicyclo[3.3.1]nonane-7-carboxylate?
The InChIKey is DSUVBQLGYGGODF-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H14O4/c1-13-10(12)6-2-7-4-14-5-8(3-6)9(7)11/h6-8H,2-5H2,1H3/t7-,8-/m1/s1.
What are the key properties of methyl (1R,5R)-9-oxo-3-oxabicyclo[3.3.1]nonane-7-carboxylate?
methyl (1R,5R)-9-oxo-3-oxabicyclo[3.3.1]nonane-7-carboxylate has a molecular weight of 198.22 g/mol, XLogP of 0.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,5R)-9-oxo-3-oxabicyclo[3.3.1]nonane-7-carboxylate is sourced from PubChem (CID 98469521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).