(1S,2R,5R)-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-ol

C10H18O2 — CID 131203528

IUPAC(1S,2R,5R)-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-ol
SMILESCC1(C)[C@H]2CC[C@]1(C)[C@H](O)OC2
InChIInChI=1S/C10H18O2/c1-9(2)7-4-5-10(9,3)8(11)12-6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m0/s1
InChIKeyKGXPIWYENLFRGE-QXFUBDJGSA-N
MW170.25 g/mol
LogP1.78
Rot. Bonds

About (1S,2R,5R)-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-ol

(1S,2R,5R)-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-ol (PubChem CID 131203528) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (1S,2R,5R)-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-ol.

Molecular Properties

Compound Name(1S,2R,5R)-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-ol
PubChem CID131203528
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(1S,2R,5R)-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-ol
SMILESCC1(C)[C@H]2CC[C@]1(C)[C@H](O)OC2
InChIInChI=1S/C10H18O2/c1-9(2)7-4-5-10(9,3)8(11)12-6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m0/s1
InChIKeyKGXPIWYENLFRGE-QXFUBDJGSA-N
XLogP1.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

hydron;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174883808
silver;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174528917
azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174585091
formaldehyde;bis((1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol)
CID 174915941
4-methyl-3-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 101328518
(1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane
CID 123374537
phosphoric acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 175476100
1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;urea
CID 170163545
formic acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 175147458
oxolane-2,5-dione;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174877215
(1S,4S)-2-chloro-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 46855987
(1R,2S,5R,7R)-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-2-ol
CID 130927472

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R)-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-ol?
The IUPAC name of (1S,2R,5R)-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-ol (CID 131203528) is (1S,2R,5R)-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-ol.
What is the SMILES notation for (1S,2R,5R)-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-ol?
The canonical SMILES for (1S,2R,5R)-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-ol is CC1(C)[C@H]2CC[C@]1(C)[C@H](O)OC2.
What is the InChIKey of (1S,2R,5R)-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-ol?
The InChIKey is KGXPIWYENLFRGE-QXFUBDJGSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2)7-4-5-10(9,3)8(11)12-6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m0/s1.
What are the key properties of (1S,2R,5R)-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-ol?
(1S,2R,5R)-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-ol has a molecular weight of 170.25 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R)-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-ol is sourced from PubChem (CID 131203528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).