2-oxabicyclo[4.2.0]octan-7-ylmethanol

C8H14O2 — CID 84716262

IUPAC2-oxabicyclo[4.2.0]octan-7-ylmethanol
SMILESOCC1CC2OCCCC12
InChIInChI=1S/C8H14O2/c9-5-6-4-8-7(6)2-1-3-10-8/h6-9H,1-5H2
InChIKeyMWEKPFKYIGNGPM-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.79
Rot. Bonds1

About 2-oxabicyclo[4.2.0]octan-7-ylmethanol

2-oxabicyclo[4.2.0]octan-7-ylmethanol (PubChem CID 84716262) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-oxabicyclo[4.2.0]octan-7-ylmethanol.

Molecular Properties

Compound Name2-oxabicyclo[4.2.0]octan-7-ylmethanol
PubChem CID84716262
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-oxabicyclo[4.2.0]octan-7-ylmethanol
SMILESOCC1CC2OCCCC12
InChIInChI=1S/C8H14O2/c9-5-6-4-8-7(6)2-1-3-10-8/h6-9H,1-5H2
InChIKeyMWEKPFKYIGNGPM-UHFFFAOYSA-N
XLogP0.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

(1S,6S,7S)-2-oxabicyclo[4.2.0]octan-7-amine
CID 97308025
(1S,6R)-2-oxabicyclo[4.2.0]octan-7-amine
CID 136589254
[(3aR,4R,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]methanol
CID 124676363
(2-tert-butyloxan-3-yl)methanol
CID 79373679
carbonochloridic acid;oxolan-2-ylmethanol
CID 161118728
[(1S,3S,4R,6R)-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol
CID 130841928
2-(oxolan-2-yl)cyclopentan-1-amine
CID 45098422
hydron;oxolan-2-ylmethanol
CID 174439667
oxolan-2-ylmethanol;hydrochloride
CID 155166529
oxalic acid;2-(oxolan-2-yl)cyclopropan-1-amine
CID 122360122
methanol;[(2S)-oxolan-2-yl]methanol
CID 144618761
[(1R,7R,8S)-8-bicyclo[5.2.0]nonanyl]methanol
CID 176573331

Frequently Asked Questions

What is the IUPAC name of 2-oxabicyclo[4.2.0]octan-7-ylmethanol?
The IUPAC name of 2-oxabicyclo[4.2.0]octan-7-ylmethanol (CID 84716262) is 2-oxabicyclo[4.2.0]octan-7-ylmethanol.
What is the SMILES notation for 2-oxabicyclo[4.2.0]octan-7-ylmethanol?
The canonical SMILES for 2-oxabicyclo[4.2.0]octan-7-ylmethanol is OCC1CC2OCCCC12.
What is the InChIKey of 2-oxabicyclo[4.2.0]octan-7-ylmethanol?
The InChIKey is MWEKPFKYIGNGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c9-5-6-4-8-7(6)2-1-3-10-8/h6-9H,1-5H2.
What are the key properties of 2-oxabicyclo[4.2.0]octan-7-ylmethanol?
2-oxabicyclo[4.2.0]octan-7-ylmethanol has a molecular weight of 142.20 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxabicyclo[4.2.0]octan-7-ylmethanol is sourced from PubChem (CID 84716262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).