2-(2-oxabicyclo[4.1.0]heptan-7-yl)ethanol

C8H14O2 — CID 84648759

IUPAC2-(2-oxabicyclo[4.1.0]heptan-7-yl)ethanol
SMILESOCCC1C2CCCOC12
InChIInChI=1S/C8H14O2/c9-4-3-7-6-2-1-5-10-8(6)7/h6-9H,1-5H2
InChIKeyDCPNPXUKFYPSJS-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.79
Rot. Bonds2

About 2-(2-oxabicyclo[4.1.0]heptan-7-yl)ethanol

2-(2-oxabicyclo[4.1.0]heptan-7-yl)ethanol (PubChem CID 84648759) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-(2-oxabicyclo[4.1.0]heptan-7-yl)ethanol.

Molecular Properties

Compound Name2-(2-oxabicyclo[4.1.0]heptan-7-yl)ethanol
PubChem CID84648759
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-(2-oxabicyclo[4.1.0]heptan-7-yl)ethanol
SMILESOCCC1C2CCCOC12
InChIInChI=1S/C8H14O2/c9-4-3-7-6-2-1-5-10-8(6)7/h6-9H,1-5H2
InChIKeyDCPNPXUKFYPSJS-UHFFFAOYSA-N
XLogP0.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(9-bicyclo[3.3.1]nonanyl)ethanol
CID 57279526
2-(oxolan-2-yl)ethanol;propan-2-one
CID 70356947
2-oxabicyclo[4.2.0]octan-7-ylmethanol
CID 84716262
[(1R,5R,6R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine
CID 96848250
2-oxabicyclo[4.1.0]heptan-7-amine;hydrochloride
CID 119031067
[(1R,5R,6S)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine
CID 124555816
[(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine
CID 59234196
2-oxabicyclo[4.1.0]heptane-7-carboxamide
CID 69124990
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-cyclobutylacetamide
CID 103165028
2-[(2R,3R)-3-methyloxolan-2-yl]ethanol
CID 134950887
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-cyclopentylpropanamide
CID 66213463
oxolan-2-ylmethanol;hydrochloride
CID 155166529

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxabicyclo[4.1.0]heptan-7-yl)ethanol?
The IUPAC name of 2-(2-oxabicyclo[4.1.0]heptan-7-yl)ethanol (CID 84648759) is 2-(2-oxabicyclo[4.1.0]heptan-7-yl)ethanol.
What is the SMILES notation for 2-(2-oxabicyclo[4.1.0]heptan-7-yl)ethanol?
The canonical SMILES for 2-(2-oxabicyclo[4.1.0]heptan-7-yl)ethanol is OCCC1C2CCCOC12.
What is the InChIKey of 2-(2-oxabicyclo[4.1.0]heptan-7-yl)ethanol?
The InChIKey is DCPNPXUKFYPSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c9-4-3-7-6-2-1-5-10-8(6)7/h6-9H,1-5H2.
What are the key properties of 2-(2-oxabicyclo[4.1.0]heptan-7-yl)ethanol?
2-(2-oxabicyclo[4.1.0]heptan-7-yl)ethanol has a molecular weight of 142.20 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxabicyclo[4.1.0]heptan-7-yl)ethanol is sourced from PubChem (CID 84648759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).