(1S,2S,5R,6S,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-2,5,8-triol

C15H26O4 — CID 102519763

IUPAC(1S,2S,5R,6S,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-2,5,8-triol
SMILESCC1(C)O[C@@]2(C)CC[C@]1(O)C[C@H]1[C@](C)(O)CC[C@]12O
InChIInChI=1S/C15H26O4/c1-11(2)14(17)7-6-13(4,19-11)15(18)8-5-12(3,16)10(15)9-14/h10,16-18H,5-9H2,1-4H3/t10-,12+,13-,14-,15-/m0/s1
InChIKeyPYSGWIYWQCVFJB-KLLKFSIISA-N
MW270.37 g/mol
LogP1.36
Rot. Bonds

About (1S,2S,5R,6S,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-2,5,8-triol

(1S,2S,5R,6S,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-2,5,8-triol (PubChem CID 102519763) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is (1S,2S,5R,6S,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-2,5,8-triol.

Molecular Properties

Compound Name(1S,2S,5R,6S,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-2,5,8-triol
PubChem CID102519763
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name(1S,2S,5R,6S,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-2,5,8-triol
SMILESCC1(C)O[C@@]2(C)CC[C@]1(O)C[C@H]1[C@](C)(O)CC[C@]12O
InChIInChI=1S/C15H26O4/c1-11(2)14(17)7-6-13(4,19-11)15(18)8-5-12(3,16)10(15)9-14/h10,16-18H,5-9H2,1-4H3/t10-,12+,13-,14-,15-/m0/s1
InChIKeyPYSGWIYWQCVFJB-KLLKFSIISA-N
XLogP1.36
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (1S,2S,5R,6S,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-2,5,8-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R,6S,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-2,5,8-triol?
The IUPAC name of (1S,2S,5R,6S,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-2,5,8-triol (CID 102519763) is (1S,2S,5R,6S,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-2,5,8-triol.
What is the SMILES notation for (1S,2S,5R,6S,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-2,5,8-triol?
The canonical SMILES for (1S,2S,5R,6S,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-2,5,8-triol is CC1(C)O[C@@]2(C)CC[C@]1(O)C[C@H]1[C@](C)(O)CC[C@]12O.
What is the InChIKey of (1S,2S,5R,6S,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-2,5,8-triol?
The InChIKey is PYSGWIYWQCVFJB-KLLKFSIISA-N. The full InChI is InChI=1S/C15H26O4/c1-11(2)14(17)7-6-13(4,19-11)15(18)8-5-12(3,16)10(15)9-14/h10,16-18H,5-9H2,1-4H3/t10-,12+,13-,14-,15-/m0/s1.
What are the key properties of (1S,2S,5R,6S,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-2,5,8-triol?
(1S,2S,5R,6S,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-2,5,8-triol has a molecular weight of 270.37 g/mol, XLogP of 1.36, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R,6S,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-2,5,8-triol is sourced from PubChem (CID 102519763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).