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

C15H26O3 — CID 102519762

IUPAC(1S,2S,5R,6S,8R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-2,5-diol
SMILESCC1(C)O[C@@]2(C)CC[C@@H]1C[C@H]1[C@](C)(O)CC[C@]12O
InChIInChI=1S/C15H26O3/c1-12(2)10-5-6-14(4,18-12)15(17)8-7-13(3,16)11(15)9-10/h10-11,16-17H,5-9H2,1-4H3/t10-,11+,13-,14+,15+/m1/s1
InChIKeyXNABOVWXFKMYBK-VEESAYDSSA-N
MW254.37 g/mol
LogP2.25
Rot. Bonds

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

(1S,2S,5R,6S,8R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-2,5-diol (PubChem CID 102519762) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (1S,2S,5R,6S,8R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-2,5-diol.

Molecular Properties

Compound Name(1S,2S,5R,6S,8R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-2,5-diol
PubChem CID102519762
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(1S,2S,5R,6S,8R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-2,5-diol
SMILESCC1(C)O[C@@]2(C)CC[C@@H]1C[C@H]1[C@](C)(O)CC[C@]12O
InChIInChI=1S/C15H26O3/c1-12(2)10-5-6-14(4,18-12)15(17)8-7-13(3,16)11(15)9-10/h10-11,16-17H,5-9H2,1-4H3/t10-,11+,13-,14+,15+/m1/s1
InChIKeyXNABOVWXFKMYBK-VEESAYDSSA-N
XLogP2.25
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R,6S,8R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-2,5-diol?
The IUPAC name of (1S,2S,5R,6S,8R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-2,5-diol (CID 102519762) is (1S,2S,5R,6S,8R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-2,5-diol.
What is the SMILES notation for (1S,2S,5R,6S,8R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-2,5-diol?
The canonical SMILES for (1S,2S,5R,6S,8R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-2,5-diol is CC1(C)O[C@@]2(C)CC[C@@H]1C[C@H]1[C@](C)(O)CC[C@]12O.
What is the InChIKey of (1S,2S,5R,6S,8R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-2,5-diol?
The InChIKey is XNABOVWXFKMYBK-VEESAYDSSA-N. The full InChI is InChI=1S/C15H26O3/c1-12(2)10-5-6-14(4,18-12)15(17)8-7-13(3,16)11(15)9-10/h10-11,16-17H,5-9H2,1-4H3/t10-,11+,13-,14+,15+/m1/s1.
What are the key properties of (1S,2S,5R,6S,8R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-2,5-diol?
(1S,2S,5R,6S,8R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-2,5-diol has a molecular weight of 254.37 g/mol, XLogP of 2.25, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R,6S,8R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-2,5-diol is sourced from PubChem (CID 102519762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).