[(1R,3S,4R,7R)-1-ethyl-3,7-dimethyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol

C11H20O2 — CID 59638463

IUPAC[(1R,3S,4R,7R)-1-ethyl-3,7-dimethyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol
SMILESCC[C@]12CC(CO)[C@@H]([C@H](C)O1)[C@H]2C
InChIInChI=1S/C11H20O2/c1-4-11-5-9(6-12)10(7(11)2)8(3)13-11/h7-10,12H,4-6H2,1-3H3/t7-,8+,9?,10-,11-/m1/s1
InChIKeyJKAWDKBPIWJYIJ-FHIRZQLDSA-N
MW184.28 g/mol
LogP1.82
Rot. Bonds2

About [(1R,3S,4R,7R)-1-ethyl-3,7-dimethyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol

[(1R,3S,4R,7R)-1-ethyl-3,7-dimethyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol (PubChem CID 59638463) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is [(1R,3S,4R,7R)-1-ethyl-3,7-dimethyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol.

Molecular Properties

Compound Name[(1R,3S,4R,7R)-1-ethyl-3,7-dimethyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol
PubChem CID59638463
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name[(1R,3S,4R,7R)-1-ethyl-3,7-dimethyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol
SMILESCC[C@]12CC(CO)[C@@H]([C@H](C)O1)[C@H]2C
InChIInChI=1S/C11H20O2/c1-4-11-5-9(6-12)10(7(11)2)8(3)13-11/h7-10,12H,4-6H2,1-3H3/t7-,8+,9?,10-,11-/m1/s1
InChIKeyJKAWDKBPIWJYIJ-FHIRZQLDSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S,4R,7R)-1-ethyl-3,7-dimethyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol?
The IUPAC name of [(1R,3S,4R,7R)-1-ethyl-3,7-dimethyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol (CID 59638463) is [(1R,3S,4R,7R)-1-ethyl-3,7-dimethyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol.
What is the SMILES notation for [(1R,3S,4R,7R)-1-ethyl-3,7-dimethyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol?
The canonical SMILES for [(1R,3S,4R,7R)-1-ethyl-3,7-dimethyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol is CC[C@]12CC(CO)[C@@H]([C@H](C)O1)[C@H]2C.
What is the InChIKey of [(1R,3S,4R,7R)-1-ethyl-3,7-dimethyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol?
The InChIKey is JKAWDKBPIWJYIJ-FHIRZQLDSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-11-5-9(6-12)10(7(11)2)8(3)13-11/h7-10,12H,4-6H2,1-3H3/t7-,8+,9?,10-,11-/m1/s1.
What are the key properties of [(1R,3S,4R,7R)-1-ethyl-3,7-dimethyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol?
[(1R,3S,4R,7R)-1-ethyl-3,7-dimethyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol has a molecular weight of 184.28 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S,4R,7R)-1-ethyl-3,7-dimethyl-2-oxabicyclo[2.2.1]heptan-5-yl]methanol is sourced from PubChem (CID 59638463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).