1-methoxy-8-oxabicyclo[3.2.1]octan-3-one

C8H12O3 — CID 142660788

IUPAC1-methoxy-8-oxabicyclo[3.2.1]octan-3-one
SMILESCOC12CCC(CC(=O)C1)O2
InChIInChI=1S/C8H12O3/c1-10-8-3-2-7(11-8)4-6(9)5-8/h7H,2-5H2,1H3
InChIKeyPXSIPBDPUJYSSJ-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.87
Rot. Bonds1

About 1-methoxy-8-oxabicyclo[3.2.1]octan-3-one

1-methoxy-8-oxabicyclo[3.2.1]octan-3-one (PubChem CID 142660788) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1-methoxy-8-oxabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name1-methoxy-8-oxabicyclo[3.2.1]octan-3-one
PubChem CID142660788
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name1-methoxy-8-oxabicyclo[3.2.1]octan-3-one
SMILESCOC12CCC(CC(=O)C1)O2
InChIInChI=1S/C8H12O3/c1-10-8-3-2-7(11-8)4-6(9)5-8/h7H,2-5H2,1H3
InChIKeyPXSIPBDPUJYSSJ-UHFFFAOYSA-N
XLogP0.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6,6,7,7-Hexafluoro-1,5-dimethoxy-8-oxabicyclo[3.2.1]octan-3-one
CID 21732405
1,6-Dioxaspiro[4.5]decan-9-one
CID 11051896
7-Ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]octan-3-one
CID 13429320
(1R,5S)-2,2-dimethoxy-8-oxabicyclo[3.2.1]octan-3-one
CID 11116746
(1R,5S,7R)-7-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]octan-3-one
CID 13429321
(1R,5S,7S)-7-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]octan-3-one
CID 21668494
2,2-Dimethoxy-8-oxabicyclo[3.2.1]octan-3-one
CID 85404898
(1S,2S,4S,5R)-1-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-3-one
CID 101353661
(1S,2R,4R,5R)-1-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-3-one
CID 101353662
(5S,7R)-7-methyl-1,6-dioxaspiro[4.5]decan-9-one
CID 130754319
(1S,5R,7S)-7-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]octan-3-one
CID 130914741

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-8-oxabicyclo[3.2.1]octan-3-one?
The IUPAC name of 1-methoxy-8-oxabicyclo[3.2.1]octan-3-one (CID 142660788) is 1-methoxy-8-oxabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 1-methoxy-8-oxabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 1-methoxy-8-oxabicyclo[3.2.1]octan-3-one is COC12CCC(CC(=O)C1)O2.
What is the InChIKey of 1-methoxy-8-oxabicyclo[3.2.1]octan-3-one?
The InChIKey is PXSIPBDPUJYSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-10-8-3-2-7(11-8)4-6(9)5-8/h7H,2-5H2,1H3.
What are the key properties of 1-methoxy-8-oxabicyclo[3.2.1]octan-3-one?
1-methoxy-8-oxabicyclo[3.2.1]octan-3-one has a molecular weight of 156.18 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-8-oxabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 142660788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).