(1S,2S,3S,5R,6R,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8,12-triol

C15H26O4 — CID 10801998

IUPAC(1S,2S,3S,5R,6R,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8,12-triol
SMILESC[C@@H]1C[C@H](O)[C@@H]2[C@@H]1C[C@@]1(O)[C@H](O)C[C@]2(C)OC1(C)C
InChIInChI=1S/C15H26O4/c1-8-5-10(16)12-9(8)6-15(18)11(17)7-14(12,4)19-13(15,2)3/h8-12,16-18H,5-7H2,1-4H3/t8-,9-,10+,11-,12+,14+,15-/m1/s1
InChIKeyIHSGXDAKFOFQCW-WWHMTQAXSA-N
MW270.37 g/mol
LogP1.07
Rot. Bonds

About (1S,2S,3S,5R,6R,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8,12-triol

(1S,2S,3S,5R,6R,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8,12-triol (PubChem CID 10801998) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is (1S,2S,3S,5R,6R,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8,12-triol.

Molecular Properties

Compound Name(1S,2S,3S,5R,6R,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8,12-triol
PubChem CID10801998
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name(1S,2S,3S,5R,6R,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8,12-triol
SMILESC[C@@H]1C[C@H](O)[C@@H]2[C@@H]1C[C@@]1(O)[C@H](O)C[C@]2(C)OC1(C)C
InChIInChI=1S/C15H26O4/c1-8-5-10(16)12-9(8)6-15(18)11(17)7-14(12,4)19-13(15,2)3/h8-12,16-18H,5-7H2,1-4H3/t8-,9-,10+,11-,12+,14+,15-/m1/s1
InChIKeyIHSGXDAKFOFQCW-WWHMTQAXSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (1S,2S,3S,5R,6R,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8,12-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,5R,6R,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8,12-triol?
The IUPAC name of (1S,2S,3S,5R,6R,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8,12-triol (CID 10801998) is (1S,2S,3S,5R,6R,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8,12-triol.
What is the SMILES notation for (1S,2S,3S,5R,6R,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8,12-triol?
The canonical SMILES for (1S,2S,3S,5R,6R,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8,12-triol is C[C@@H]1C[C@H](O)[C@@H]2[C@@H]1C[C@@]1(O)[C@H](O)C[C@]2(C)OC1(C)C.
What is the InChIKey of (1S,2S,3S,5R,6R,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8,12-triol?
The InChIKey is IHSGXDAKFOFQCW-WWHMTQAXSA-N. The full InChI is InChI=1S/C15H26O4/c1-8-5-10(16)12-9(8)6-15(18)11(17)7-14(12,4)19-13(15,2)3/h8-12,16-18H,5-7H2,1-4H3/t8-,9-,10+,11-,12+,14+,15-/m1/s1.
What are the key properties of (1S,2S,3S,5R,6R,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8,12-triol?
(1S,2S,3S,5R,6R,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8,12-triol has a molecular weight of 270.37 g/mol, XLogP of 1.07, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,5R,6R,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8,12-triol is sourced from PubChem (CID 10801998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).