2-oxabicyclo[2.2.2]octan-3-ol

C7H12O2 — CID 139470580

IUPAC2-oxabicyclo[2.2.2]octan-3-ol
SMILESOC1OC2CCC1CC2
InChIInChI=1S/C7H12O2/c8-7-5-1-3-6(9-7)4-2-5/h5-8H,1-4H2
InChIKeyQDKYSCNMGXXVQA-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.89
Rot. Bonds

About 2-oxabicyclo[2.2.2]octan-3-ol

2-oxabicyclo[2.2.2]octan-3-ol (PubChem CID 139470580) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-oxabicyclo[2.2.2]octan-3-ol.

Molecular Properties

Compound Name2-oxabicyclo[2.2.2]octan-3-ol
PubChem CID139470580
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-oxabicyclo[2.2.2]octan-3-ol
SMILESOC1OC2CCC1CC2
InChIInChI=1S/C7H12O2/c8-7-5-1-3-6(9-7)4-2-5/h5-8H,1-4H2
InChIKeyQDKYSCNMGXXVQA-UHFFFAOYSA-N
XLogP0.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexanemethanol, 4-[(tetrahydro-2H-pyran-2-yl)oxy]-, cis-
CID 15349886
4-(1,3-Dioxan-2-yl)cyclohexan-1-ol
CID 19863168
4-(5-Propyl-1,3-dioxan-2-yl)cyclohexan-1-ol
CID 86200943
(1S,6S)-2-oxabicyclo[2.2.2]octane-3,6-diol
CID 154469107
(3R,7S,10R)-9-oxatricyclo[5.3.1.03,8]undecan-10-ol
CID 10820999
9-Oxatricyclo[5.3.1.03,8]undecan-10-ol
CID 85279762
4-(Oxan-2-yloxymethyl)cyclohexan-1-ol
CID 85802536
[4-[(2S)-oxan-2-yl]oxycyclohexyl]methanol
CID 124514919
[4-[(2R)-oxan-2-yl]oxycyclohexyl]methanol
CID 124514920
(3R,7R,10R)-9-oxatricyclo[5.3.1.03,8]undecan-10-ol
CID 133623326

Frequently Asked Questions

What is the IUPAC name of 2-oxabicyclo[2.2.2]octan-3-ol?
The IUPAC name of 2-oxabicyclo[2.2.2]octan-3-ol (CID 139470580) is 2-oxabicyclo[2.2.2]octan-3-ol.
What is the SMILES notation for 2-oxabicyclo[2.2.2]octan-3-ol?
The canonical SMILES for 2-oxabicyclo[2.2.2]octan-3-ol is OC1OC2CCC1CC2.
What is the InChIKey of 2-oxabicyclo[2.2.2]octan-3-ol?
The InChIKey is QDKYSCNMGXXVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c8-7-5-1-3-6(9-7)4-2-5/h5-8H,1-4H2.
What are the key properties of 2-oxabicyclo[2.2.2]octan-3-ol?
2-oxabicyclo[2.2.2]octan-3-ol has a molecular weight of 128.17 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxabicyclo[2.2.2]octan-3-ol is sourced from PubChem (CID 139470580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).