[(1R,2S,6R)-2,6-dimethyl-3-oxabicyclo[4.2.0]octan-2-yl]methanol

C10H18O2 — CID 91099199

IUPAC[(1R,2S,6R)-2,6-dimethyl-3-oxabicyclo[4.2.0]octan-2-yl]methanol
SMILESC[C@@]12CCO[C@](C)(CO)[C@@H]1CC2
InChIInChI=1S/C10H18O2/c1-9-4-3-8(9)10(2,7-11)12-6-5-9/h8,11H,3-7H2,1-2H3/t8-,9-,10-/m1/s1
InChIKeyYUVXGEACJAMMLU-OPRDCNLKSA-N
MW170.25 g/mol
LogP1.57
Rot. Bonds1

About [(1R,2S,6R)-2,6-dimethyl-3-oxabicyclo[4.2.0]octan-2-yl]methanol

[(1R,2S,6R)-2,6-dimethyl-3-oxabicyclo[4.2.0]octan-2-yl]methanol (PubChem CID 91099199) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is [(1R,2S,6R)-2,6-dimethyl-3-oxabicyclo[4.2.0]octan-2-yl]methanol.

Molecular Properties

Compound Name[(1R,2S,6R)-2,6-dimethyl-3-oxabicyclo[4.2.0]octan-2-yl]methanol
PubChem CID91099199
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name[(1R,2S,6R)-2,6-dimethyl-3-oxabicyclo[4.2.0]octan-2-yl]methanol
SMILESC[C@@]12CCO[C@](C)(CO)[C@@H]1CC2
InChIInChI=1S/C10H18O2/c1-9-4-3-8(9)10(2,7-11)12-6-5-9/h8,11H,3-7H2,1-2H3/t8-,9-,10-/m1/s1
InChIKeyYUVXGEACJAMMLU-OPRDCNLKSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S,6R)-2,6-dimethyl-3-oxabicyclo[4.2.0]octan-2-yl]methanol?
The IUPAC name of [(1R,2S,6R)-2,6-dimethyl-3-oxabicyclo[4.2.0]octan-2-yl]methanol (CID 91099199) is [(1R,2S,6R)-2,6-dimethyl-3-oxabicyclo[4.2.0]octan-2-yl]methanol.
What is the SMILES notation for [(1R,2S,6R)-2,6-dimethyl-3-oxabicyclo[4.2.0]octan-2-yl]methanol?
The canonical SMILES for [(1R,2S,6R)-2,6-dimethyl-3-oxabicyclo[4.2.0]octan-2-yl]methanol is C[C@@]12CCO[C@](C)(CO)[C@@H]1CC2.
What is the InChIKey of [(1R,2S,6R)-2,6-dimethyl-3-oxabicyclo[4.2.0]octan-2-yl]methanol?
The InChIKey is YUVXGEACJAMMLU-OPRDCNLKSA-N. The full InChI is InChI=1S/C10H18O2/c1-9-4-3-8(9)10(2,7-11)12-6-5-9/h8,11H,3-7H2,1-2H3/t8-,9-,10-/m1/s1.
What are the key properties of [(1R,2S,6R)-2,6-dimethyl-3-oxabicyclo[4.2.0]octan-2-yl]methanol?
[(1R,2S,6R)-2,6-dimethyl-3-oxabicyclo[4.2.0]octan-2-yl]methanol has a molecular weight of 170.25 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,6R)-2,6-dimethyl-3-oxabicyclo[4.2.0]octan-2-yl]methanol is sourced from PubChem (CID 91099199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).