(3R,4R,5S,6R,10R)-3,5,11,11-tetramethyl-1,7-dioxaspiro[5.5]undecane-4,10-diol

C13H24O4 — CID 10705457

IUPAC(3R,4R,5S,6R,10R)-3,5,11,11-tetramethyl-1,7-dioxaspiro[5.5]undecane-4,10-diol
SMILESC[C@@H]1CO[C@]2(OCC[C@@H](O)C2(C)C)[C@@H](C)[C@@H]1O
InChIInChI=1S/C13H24O4/c1-8-7-17-13(9(2)11(8)15)12(3,4)10(14)5-6-16-13/h8-11,14-15H,5-7H2,1-4H3/t8-,9+,10-,11-,13-/m1/s1
InChIKeyITVPUJJAMOUTIX-UYNYGYNWSA-N
MW244.33 g/mol
LogP1.15
Rot. Bonds

About (3R,4R,5S,6R,10R)-3,5,11,11-tetramethyl-1,7-dioxaspiro[5.5]undecane-4,10-diol

(3R,4R,5S,6R,10R)-3,5,11,11-tetramethyl-1,7-dioxaspiro[5.5]undecane-4,10-diol (PubChem CID 10705457) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is (3R,4R,5S,6R,10R)-3,5,11,11-tetramethyl-1,7-dioxaspiro[5.5]undecane-4,10-diol.

Molecular Properties

Compound Name(3R,4R,5S,6R,10R)-3,5,11,11-tetramethyl-1,7-dioxaspiro[5.5]undecane-4,10-diol
PubChem CID10705457
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name(3R,4R,5S,6R,10R)-3,5,11,11-tetramethyl-1,7-dioxaspiro[5.5]undecane-4,10-diol
SMILESC[C@@H]1CO[C@]2(OCC[C@@H](O)C2(C)C)[C@@H](C)[C@@H]1O
InChIInChI=1S/C13H24O4/c1-8-7-17-13(9(2)11(8)15)12(3,4)10(14)5-6-16-13/h8-11,14-15H,5-7H2,1-4H3/t8-,9+,10-,11-,13-/m1/s1
InChIKeyITVPUJJAMOUTIX-UYNYGYNWSA-N
XLogP1.15
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6R,10R)-3,5,11,11-tetramethyl-1,7-dioxaspiro[5.5]undecane-4,10-diol?
The IUPAC name of (3R,4R,5S,6R,10R)-3,5,11,11-tetramethyl-1,7-dioxaspiro[5.5]undecane-4,10-diol (CID 10705457) is (3R,4R,5S,6R,10R)-3,5,11,11-tetramethyl-1,7-dioxaspiro[5.5]undecane-4,10-diol.
What is the SMILES notation for (3R,4R,5S,6R,10R)-3,5,11,11-tetramethyl-1,7-dioxaspiro[5.5]undecane-4,10-diol?
The canonical SMILES for (3R,4R,5S,6R,10R)-3,5,11,11-tetramethyl-1,7-dioxaspiro[5.5]undecane-4,10-diol is C[C@@H]1CO[C@]2(OCC[C@@H](O)C2(C)C)[C@@H](C)[C@@H]1O.
What is the InChIKey of (3R,4R,5S,6R,10R)-3,5,11,11-tetramethyl-1,7-dioxaspiro[5.5]undecane-4,10-diol?
The InChIKey is ITVPUJJAMOUTIX-UYNYGYNWSA-N. The full InChI is InChI=1S/C13H24O4/c1-8-7-17-13(9(2)11(8)15)12(3,4)10(14)5-6-16-13/h8-11,14-15H,5-7H2,1-4H3/t8-,9+,10-,11-,13-/m1/s1.
What are the key properties of (3R,4R,5S,6R,10R)-3,5,11,11-tetramethyl-1,7-dioxaspiro[5.5]undecane-4,10-diol?
(3R,4R,5S,6R,10R)-3,5,11,11-tetramethyl-1,7-dioxaspiro[5.5]undecane-4,10-diol has a molecular weight of 244.33 g/mol, XLogP of 1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,6R,10R)-3,5,11,11-tetramethyl-1,7-dioxaspiro[5.5]undecane-4,10-diol is sourced from PubChem (CID 10705457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).