2-oxabicyclo[2.2.1]heptan-5-ol

C6H10O2 — CID 14020446

IUPAC2-oxabicyclo[2.2.1]heptan-5-ol
SMILESOC1CC2CC1CO2
InChIInChI=1S/C6H10O2/c7-6-2-5-1-4(6)3-8-5/h4-7H,1-3H2
InChIKeyHNOQJUJGVQARBI-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.16
Rot. Bonds

About 2-oxabicyclo[2.2.1]heptan-5-ol

2-oxabicyclo[2.2.1]heptan-5-ol (PubChem CID 14020446) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2-oxabicyclo[2.2.1]heptan-5-ol.

Molecular Properties

Compound Name2-oxabicyclo[2.2.1]heptan-5-ol
PubChem CID14020446
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2-oxabicyclo[2.2.1]heptan-5-ol
SMILESOC1CC2CC1CO2
InChIInChI=1S/C6H10O2/c7-6-2-5-1-4(6)3-8-5/h4-7H,1-3H2
InChIKeyHNOQJUJGVQARBI-UHFFFAOYSA-N
XLogP0.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S,3S,5R)-2-(hydroxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol
CID 134890521
(3aS,4S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-ol
CID 10678252
2-Methyl-6-oxabicyclo[3.1.0]hexan-3-ol
CID 12817963
(1S,2S,3S,5R)-2-methyl-6-oxabicyclo[3.1.0]hexan-3-ol
CID 12817964
2-(Hydroxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol
CID 18506447
(3aR,4R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-ol
CID 54186143
3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-ol
CID 54186144
(1S,2R,3S,5R)-2-ethyl-6-oxabicyclo[3.1.0]hexan-3-ol
CID 58470755
(1R,2S,3R,5S)-2-ethyl-6-oxabicyclo[3.1.0]hexan-3-ol
CID 58878680
2-Oxabicyclo[2.2.1]heptan-4-ol
CID 67811115
(6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-ol
CID 70102550
(6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-ol
CID 70102931

Frequently Asked Questions

What is the IUPAC name of 2-oxabicyclo[2.2.1]heptan-5-ol?
The IUPAC name of 2-oxabicyclo[2.2.1]heptan-5-ol (CID 14020446) is 2-oxabicyclo[2.2.1]heptan-5-ol.
What is the SMILES notation for 2-oxabicyclo[2.2.1]heptan-5-ol?
The canonical SMILES for 2-oxabicyclo[2.2.1]heptan-5-ol is OC1CC2CC1CO2.
What is the InChIKey of 2-oxabicyclo[2.2.1]heptan-5-ol?
The InChIKey is HNOQJUJGVQARBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c7-6-2-5-1-4(6)3-8-5/h4-7H,1-3H2.
What are the key properties of 2-oxabicyclo[2.2.1]heptan-5-ol?
2-oxabicyclo[2.2.1]heptan-5-ol has a molecular weight of 114.14 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxabicyclo[2.2.1]heptan-5-ol is sourced from PubChem (CID 14020446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).