3-oxatricyclo[3.2.1.02,4]octan-6-ylmethanol

C8H12O2 — CID 23382653

IUPAC3-oxatricyclo[3.2.1.02,4]octan-6-ylmethanol
SMILESOCC1CC2CC1C1OC21
InChIInChI=1S/C8H12O2/c9-3-5-1-4-2-6(5)8-7(4)10-8/h4-9H,1-3H2
InChIKeyUMYCCRNFNCCUFN-UHFFFAOYSA-N
MW140.18 g/mol
LogP0.40
Rot. Bonds1

About 3-oxatricyclo[3.2.1.02,4]octan-6-ylmethanol

3-oxatricyclo[3.2.1.02,4]octan-6-ylmethanol (PubChem CID 23382653) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 3-oxatricyclo[3.2.1.02,4]octan-6-ylmethanol.

Molecular Properties

Compound Name3-oxatricyclo[3.2.1.02,4]octan-6-ylmethanol
PubChem CID23382653
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name3-oxatricyclo[3.2.1.02,4]octan-6-ylmethanol
SMILESOCC1CC2CC1C1OC21
InChIInChI=1S/C8H12O2/c9-3-5-1-4-2-6(5)8-7(4)10-8/h4-9H,1-3H2
InChIKeyUMYCCRNFNCCUFN-UHFFFAOYSA-N
XLogP0.40
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[(1R,2S,4R,5R,6R)-3-oxatricyclo[3.2.1.02,4]octan-6-yl]methanamine
CID 15190122
6-(2-methylpropyl)-3-oxatricyclo[3.2.1.02,4]octane
CID 158716874
6-(prop-2-enoxymethyl)-3-oxatricyclo[3.2.1.02,4]octane
CID 12574062
[(1R,2R,4S)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol
CID 88623033
(2S)-3-oxatricyclo[3.2.1.02,4]octane-6-carboxylic acid
CID 163984291
[(1R,7R,8S)-8-bicyclo[5.2.0]nonanyl]methanol
CID 176573331
[(1R,2R,4R,5R)-5-(hydroxymethyl)-2-bicyclo[2.2.2]octanyl]methanol
CID 130977937
[(2S,6S)-8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol
CID 170200761
[(1R,2S,4R,6R,7R,8S)-8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol
CID 121488643
[(8R)-8-tricyclo[5.2.1.02,6]decanyl]methanol
CID 177289289
6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane
CID 45098405
[(1S,3S,4R,6R)-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol
CID 130841928

Frequently Asked Questions

What is the IUPAC name of 3-oxatricyclo[3.2.1.02,4]octan-6-ylmethanol?
The IUPAC name of 3-oxatricyclo[3.2.1.02,4]octan-6-ylmethanol (CID 23382653) is 3-oxatricyclo[3.2.1.02,4]octan-6-ylmethanol.
What is the SMILES notation for 3-oxatricyclo[3.2.1.02,4]octan-6-ylmethanol?
The canonical SMILES for 3-oxatricyclo[3.2.1.02,4]octan-6-ylmethanol is OCC1CC2CC1C1OC21.
What is the InChIKey of 3-oxatricyclo[3.2.1.02,4]octan-6-ylmethanol?
The InChIKey is UMYCCRNFNCCUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c9-3-5-1-4-2-6(5)8-7(4)10-8/h4-9H,1-3H2.
What are the key properties of 3-oxatricyclo[3.2.1.02,4]octan-6-ylmethanol?
3-oxatricyclo[3.2.1.02,4]octan-6-ylmethanol has a molecular weight of 140.18 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxatricyclo[3.2.1.02,4]octan-6-ylmethanol is sourced from PubChem (CID 23382653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).