(2R,6R)-2,6-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol

C10H16O2 — CID 154026473

IUPAC(2R,6R)-2,6-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
SMILESC[C@@H]1C2CC3C1OC(O)[C@]3(C)C2
InChIInChI=1S/C10H16O2/c1-5-6-3-7-8(5)12-9(11)10(7,2)4-6/h5-9,11H,3-4H2,1-2H3/t5-,6?,7?,8?,9?,10-/m1/s1
InChIKeyNUCSTOHIJXUIMK-MKLNSNSYSA-N
MW168.24 g/mol
LogP1.39
Rot. Bonds

About (2R,6R)-2,6-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol

(2R,6R)-2,6-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol (PubChem CID 154026473) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (2R,6R)-2,6-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol.

Molecular Properties

Compound Name(2R,6R)-2,6-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
PubChem CID154026473
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(2R,6R)-2,6-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
SMILESC[C@@H]1C2CC3C1OC(O)[C@]3(C)C2
InChIInChI=1S/C10H16O2/c1-5-6-3-7-8(5)12-9(11)10(7,2)4-6/h5-9,11H,3-4H2,1-2H3/t5-,6?,7?,8?,9?,10-/m1/s1
InChIKeyNUCSTOHIJXUIMK-MKLNSNSYSA-N
XLogP1.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,6R)-2,6-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol with MolForge

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Launch Full Analysis

Related Compounds

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1-methyltricyclo[4.2.0.03,8]octane
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(1S,3R,7R,9S,10S,12R,14S)-12,14-dihydroxy-1,9-dimethyl-4-methylidene-6,13-dioxatricyclo[8.4.0.03,7]tetradecan-5-one
CID 162889809
(1S,3R,7R,9S,10S,12S,14S)-12,14-dihydroxy-1,9-dimethyl-4-methylidene-6,13-dioxatricyclo[8.4.0.03,7]tetradecan-5-one
CID 163189112
2,5,5-trimethyl-8-oxabicyclo[5.1.0]octan-3-ol
CID 12586523
2-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-6-carbonitrile
CID 59215509
7,9-dimethyl-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide
CID 59623155
1,5-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 131862247
5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2',5'-dione
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(1S,5S,7R,9R)-8,9-dimethyl-2,6-dioxatricyclo[5.3.1.01,5]undecan-3-ol
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1,2,3,6-tetramethylbicyclo[2.2.0]hexane
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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol?
The IUPAC name of (2R,6R)-2,6-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol (CID 154026473) is (2R,6R)-2,6-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol.
What is the SMILES notation for (2R,6R)-2,6-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol?
The canonical SMILES for (2R,6R)-2,6-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol is C[C@@H]1C2CC3C1OC(O)[C@]3(C)C2.
What is the InChIKey of (2R,6R)-2,6-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol?
The InChIKey is NUCSTOHIJXUIMK-MKLNSNSYSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-6-3-7-8(5)12-9(11)10(7,2)4-6/h5-9,11H,3-4H2,1-2H3/t5-,6?,7?,8?,9?,10-/m1/s1.
What are the key properties of (2R,6R)-2,6-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol?
(2R,6R)-2,6-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol has a molecular weight of 168.24 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol is sourced from PubChem (CID 154026473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).