(1R,2S,5R,7R)-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-2-ol

C11H18O2 — CID 130927472

IUPAC(1R,2S,5R,7R)-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-2-ol
SMILESCC1(C)[C@@H]2CC[C@]13[C@H](O)CO[C@@H]3C2
InChIInChI=1S/C11H18O2/c1-10(2)7-3-4-11(10)8(12)6-13-9(11)5-7/h7-9,12H,3-6H2,1-2H3/t7-,8-,9-,11-/m1/s1
InChIKeyXGFZEPXITYWQQJ-TURQNECASA-N
MW182.26 g/mol
LogP1.57
Rot. Bonds

About (1R,2S,5R,7R)-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-2-ol

(1R,2S,5R,7R)-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-2-ol (PubChem CID 130927472) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (1R,2S,5R,7R)-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-2-ol.

Molecular Properties

Compound Name(1R,2S,5R,7R)-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-2-ol
PubChem CID130927472
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(1R,2S,5R,7R)-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-2-ol
SMILESCC1(C)[C@@H]2CC[C@]13[C@H](O)CO[C@@H]3C2
InChIInChI=1S/C11H18O2/c1-10(2)7-3-4-11(10)8(12)6-13-9(11)5-7/h7-9,12H,3-6H2,1-2H3/t7-,8-,9-,11-/m1/s1
InChIKeyXGFZEPXITYWQQJ-TURQNECASA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2S,5R,7R)-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-2-ol with MolForge

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Related Compounds

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azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174585091
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CID 72785049
(1R,2S,4R)-1-(hydroxymethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 14593278
formic acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 175147458
phosphoric acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 175476100
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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R,7R)-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-2-ol?
The IUPAC name of (1R,2S,5R,7R)-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-2-ol (CID 130927472) is (1R,2S,5R,7R)-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-2-ol.
What is the SMILES notation for (1R,2S,5R,7R)-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-2-ol?
The canonical SMILES for (1R,2S,5R,7R)-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-2-ol is CC1(C)[C@@H]2CC[C@]13[C@H](O)CO[C@@H]3C2.
What is the InChIKey of (1R,2S,5R,7R)-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-2-ol?
The InChIKey is XGFZEPXITYWQQJ-TURQNECASA-N. The full InChI is InChI=1S/C11H18O2/c1-10(2)7-3-4-11(10)8(12)6-13-9(11)5-7/h7-9,12H,3-6H2,1-2H3/t7-,8-,9-,11-/m1/s1.
What are the key properties of (1R,2S,5R,7R)-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-2-ol?
(1R,2S,5R,7R)-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-2-ol has a molecular weight of 182.26 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R,7R)-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-2-ol is sourced from PubChem (CID 130927472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).