1-[(1R)-2-methoxy-7,7-dimethyl-3-oxabicyclo[4.1.0]heptan-4-yl]ethanone

C11H18O3 — CID 70591269

IUPAC1-[(1R)-2-methoxy-7,7-dimethyl-3-oxabicyclo[4.1.0]heptan-4-yl]ethanone
SMILESCOC1OC(C(C)=O)CC2[C@@H]1C2(C)C
InChIInChI=1S/C11H18O3/c1-6(12)8-5-7-9(11(7,2)3)10(13-4)14-8/h7-10H,5H2,1-4H3/t7?,8?,9-,10?/m0/s1
InChIKeyRLMHDGDCKYPGRU-HTEYAMCKSA-N
MW198.26 g/mol
LogP1.61
Rot. Bonds2

About 1-[(1R)-2-methoxy-7,7-dimethyl-3-oxabicyclo[4.1.0]heptan-4-yl]ethanone

1-[(1R)-2-methoxy-7,7-dimethyl-3-oxabicyclo[4.1.0]heptan-4-yl]ethanone (PubChem CID 70591269) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-[(1R)-2-methoxy-7,7-dimethyl-3-oxabicyclo[4.1.0]heptan-4-yl]ethanone.

Molecular Properties

Compound Name1-[(1R)-2-methoxy-7,7-dimethyl-3-oxabicyclo[4.1.0]heptan-4-yl]ethanone
PubChem CID70591269
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name1-[(1R)-2-methoxy-7,7-dimethyl-3-oxabicyclo[4.1.0]heptan-4-yl]ethanone
SMILESCOC1OC(C(C)=O)CC2[C@@H]1C2(C)C
InChIInChI=1S/C11H18O3/c1-6(12)8-5-7-9(11(7,2)3)10(13-4)14-8/h7-10H,5H2,1-4H3/t7?,8?,9-,10?/m0/s1
InChIKeyRLMHDGDCKYPGRU-HTEYAMCKSA-N
XLogP1.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(1R)-2-methoxy-7,7-dimethyl-3-oxabicyclo[4.1.0]heptan-4-yl]ethanone with MolForge

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Related Compounds

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1-[(1S,3R)-3-methoxy-2,2-dimethylcyclobutyl]ethanone
CID 164781608
[(2S,3R,4R,6R)-6-acetyl-2-acetyloxy-3-bromooxan-4-yl] acetate
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[(1S,2R,3R,5R,7R)-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octan-2-yl] acetate
CID 23268321
4-amino-5-hydroxy-6-methoxyoxane-2-carboxylic acid
CID 14139997
[(3S,5R,6R)-3,5-diacetyloxy-2,6-dimethoxyoxan-4-yl] acetate
CID 134937092
1-(5-methoxy-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethanone
CID 163480534
1-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethanone
CID 11287407
1-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanone
CID 11579201
1-[(2S,3aR,4R,5R,7aS)-4-(dimethoxymethyl)-7a-methyl-5-propan-2-yl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran-2-yl]ethanone
CID 15511534

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-methoxy-7,7-dimethyl-3-oxabicyclo[4.1.0]heptan-4-yl]ethanone?
The IUPAC name of 1-[(1R)-2-methoxy-7,7-dimethyl-3-oxabicyclo[4.1.0]heptan-4-yl]ethanone (CID 70591269) is 1-[(1R)-2-methoxy-7,7-dimethyl-3-oxabicyclo[4.1.0]heptan-4-yl]ethanone.
What is the SMILES notation for 1-[(1R)-2-methoxy-7,7-dimethyl-3-oxabicyclo[4.1.0]heptan-4-yl]ethanone?
The canonical SMILES for 1-[(1R)-2-methoxy-7,7-dimethyl-3-oxabicyclo[4.1.0]heptan-4-yl]ethanone is COC1OC(C(C)=O)CC2[C@@H]1C2(C)C.
What is the InChIKey of 1-[(1R)-2-methoxy-7,7-dimethyl-3-oxabicyclo[4.1.0]heptan-4-yl]ethanone?
The InChIKey is RLMHDGDCKYPGRU-HTEYAMCKSA-N. The full InChI is InChI=1S/C11H18O3/c1-6(12)8-5-7-9(11(7,2)3)10(13-4)14-8/h7-10H,5H2,1-4H3/t7?,8?,9-,10?/m0/s1.
What are the key properties of 1-[(1R)-2-methoxy-7,7-dimethyl-3-oxabicyclo[4.1.0]heptan-4-yl]ethanone?
1-[(1R)-2-methoxy-7,7-dimethyl-3-oxabicyclo[4.1.0]heptan-4-yl]ethanone has a molecular weight of 198.26 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-methoxy-7,7-dimethyl-3-oxabicyclo[4.1.0]heptan-4-yl]ethanone is sourced from PubChem (CID 70591269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).