(1R,2R,5S)-1,5-dimethyl-9-oxabicyclo[3.3.1]nonan-2-ol

C10H18O2 — CID 14267340

IUPAC(1R,2R,5S)-1,5-dimethyl-9-oxabicyclo[3.3.1]nonan-2-ol
SMILESC[C@@]12CCC[C@@](C)(O1)[C@H](O)CC2
InChIInChI=1S/C10H18O2/c1-9-5-3-6-10(2,12-9)8(11)4-7-9/h8,11H,3-7H2,1-2H3/t8-,9+,10-/m1/s1
InChIKeyHYHFPRWLFCVAFS-KXUCPTDWSA-N
MW170.25 g/mol
LogP1.86
Rot. Bonds

About (1R,2R,5S)-1,5-dimethyl-9-oxabicyclo[3.3.1]nonan-2-ol

(1R,2R,5S)-1,5-dimethyl-9-oxabicyclo[3.3.1]nonan-2-ol (PubChem CID 14267340) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (1R,2R,5S)-1,5-dimethyl-9-oxabicyclo[3.3.1]nonan-2-ol.

Molecular Properties

Compound Name(1R,2R,5S)-1,5-dimethyl-9-oxabicyclo[3.3.1]nonan-2-ol
PubChem CID14267340
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(1R,2R,5S)-1,5-dimethyl-9-oxabicyclo[3.3.1]nonan-2-ol
SMILESC[C@@]12CCC[C@@](C)(O1)[C@H](O)CC2
InChIInChI=1S/C10H18O2/c1-9-5-3-6-10(2,12-9)8(11)4-7-9/h8,11H,3-7H2,1-2H3/t8-,9+,10-/m1/s1
InChIKeyHYHFPRWLFCVAFS-KXUCPTDWSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,7,7-trimethyl-6-oxabicyclo[3.2.2]nonan-4-ol
CID 13423312
(1R,3R,7R,8S)-1,3-dimethyl-2-oxatricyclo[5.3.1.03,8]undecane
CID 162875339
8,8,9-trimethylspiro[3.5]nonan-7-ol
CID 123702304
(1S,4R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ol
CID 101389805
(2R)-1-methylcyclobutane-1,2-diol
CID 130694777
1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
CID 2758
[(3S)-1,3-dimethyl-2-oxabicyclo[2.2.2]octan-3-yl]methanol
CID 15172597
(1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecane
CID 71019394
(2S,3S)-2-(hydroxymethyl)-2,6,6-trimethyloxan-3-ol
CID 23244380
2,2,3,3-tetramethylcyclopentan-1-ol
CID 20584587
(1R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-ol
CID 130741525
(3S,5R,8R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2S)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
CID 16760118

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S)-1,5-dimethyl-9-oxabicyclo[3.3.1]nonan-2-ol?
The IUPAC name of (1R,2R,5S)-1,5-dimethyl-9-oxabicyclo[3.3.1]nonan-2-ol (CID 14267340) is (1R,2R,5S)-1,5-dimethyl-9-oxabicyclo[3.3.1]nonan-2-ol.
What is the SMILES notation for (1R,2R,5S)-1,5-dimethyl-9-oxabicyclo[3.3.1]nonan-2-ol?
The canonical SMILES for (1R,2R,5S)-1,5-dimethyl-9-oxabicyclo[3.3.1]nonan-2-ol is C[C@@]12CCC[C@@](C)(O1)[C@H](O)CC2.
What is the InChIKey of (1R,2R,5S)-1,5-dimethyl-9-oxabicyclo[3.3.1]nonan-2-ol?
The InChIKey is HYHFPRWLFCVAFS-KXUCPTDWSA-N. The full InChI is InChI=1S/C10H18O2/c1-9-5-3-6-10(2,12-9)8(11)4-7-9/h8,11H,3-7H2,1-2H3/t8-,9+,10-/m1/s1.
What are the key properties of (1R,2R,5S)-1,5-dimethyl-9-oxabicyclo[3.3.1]nonan-2-ol?
(1R,2R,5S)-1,5-dimethyl-9-oxabicyclo[3.3.1]nonan-2-ol has a molecular weight of 170.25 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S)-1,5-dimethyl-9-oxabicyclo[3.3.1]nonan-2-ol is sourced from PubChem (CID 14267340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).