[(1R,4S,5S)-1-methyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol

C8H14O2 — CID 155820615

IUPAC[(1R,4S,5S)-1-methyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol
SMILESC[C@]12C[C@H](CO)[C@@H](CO1)C2
InChIInChI=1S/C8H14O2/c1-8-2-6(4-9)7(3-8)5-10-8/h6-7,9H,2-5H2,1H3/t6-,7-,8-/m1/s1
InChIKeyYBQLULFEWALDFA-BWZBUEFSSA-N
MW142.20 g/mol
LogP0.79
Rot. Bonds1

About [(1R,4S,5S)-1-methyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol

[(1R,4S,5S)-1-methyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol (PubChem CID 155820615) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is [(1R,4S,5S)-1-methyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol.

Molecular Properties

Compound Name[(1R,4S,5S)-1-methyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol
PubChem CID155820615
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name[(1R,4S,5S)-1-methyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol
SMILESC[C@]12C[C@H](CO)[C@@H](CO1)C2
InChIInChI=1S/C8H14O2/c1-8-2-6(4-9)7(3-8)5-10-8/h6-7,9H,2-5H2,1H3/t6-,7-,8-/m1/s1
InChIKeyYBQLULFEWALDFA-BWZBUEFSSA-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

7,10S-epoxycycloneran-3,15-diol
CID 146682957
7,10R-epoxycycloneran-3,15-diol
CID 146682958
(3S)-2-methyl-5-[(1R,3S,4S,7R)-1,3,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-yl]pentane-2,3-diol
CID 163008999
{1-Methyl-2-oxabicyclo[2.2.1]heptan-4-yl}methanol
CID 146155421
[(3aR,6S,6aS)-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-yl]methanol
CID 11615249
(1,3-Dimethyl-2-oxabicyclo[2.2.1]heptan-3-yl)methanol
CID 54492867
[(1R,3S,4R,7R)-1-ethyl-3,7-dimethyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol
CID 59638463
1-(3,6-Dimethyl-2-oxabicyclo[2.2.1]heptan-5-yl)propan-1-ol
CID 89081888
[(1R,3S,4S,7R)-1-ethyl-3,7-dimethyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol
CID 91372073
(4aS,7aR)-6-methyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyran-6-ol
CID 117907866
[6-(Hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-5-yl]methanol
CID 154373612
(3-Methyl-2-oxabicyclo[2.2.1]heptan-5-yl)methanol
CID 163590469

Frequently Asked Questions

What is the IUPAC name of [(1R,4S,5S)-1-methyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol?
The IUPAC name of [(1R,4S,5S)-1-methyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol (CID 155820615) is [(1R,4S,5S)-1-methyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol.
What is the SMILES notation for [(1R,4S,5S)-1-methyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol?
The canonical SMILES for [(1R,4S,5S)-1-methyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol is C[C@]12C[C@H](CO)[C@@H](CO1)C2.
What is the InChIKey of [(1R,4S,5S)-1-methyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol?
The InChIKey is YBQLULFEWALDFA-BWZBUEFSSA-N. The full InChI is InChI=1S/C8H14O2/c1-8-2-6(4-9)7(3-8)5-10-8/h6-7,9H,2-5H2,1H3/t6-,7-,8-/m1/s1.
What are the key properties of [(1R,4S,5S)-1-methyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol?
[(1R,4S,5S)-1-methyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol 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 [(1R,4S,5S)-1-methyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol is sourced from PubChem (CID 155820615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).