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

C11H20O4 — CID 11514035

IUPAC(4R,5R,10R,11S)-5,11-dimethyl-1,7-dioxaspiro[5.5]undecane-4,10-diol
SMILESC[C@@H]1[C@H](O)CCOC12OCC[C@@H](O)[C@@H]2C
InChIInChI=1S/C11H20O4/c1-7-9(12)3-5-14-11(7)8(2)10(13)4-6-15-11/h7-10,12-13H,3-6H2,1-2H3/t7-,8+,9-,10-,11?/m1/s1
InChIKeyYEYSFERXUCHUAO-SJWJCTCFSA-N
MW216.28 g/mol
LogP0.52
Rot. Bonds

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

(4R,5R,10R,11S)-5,11-dimethyl-1,7-dioxaspiro[5.5]undecane-4,10-diol (PubChem CID 11514035) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (4R,5R,10R,11S)-5,11-dimethyl-1,7-dioxaspiro[5.5]undecane-4,10-diol.

Molecular Properties

Compound Name(4R,5R,10R,11S)-5,11-dimethyl-1,7-dioxaspiro[5.5]undecane-4,10-diol
PubChem CID11514035
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(4R,5R,10R,11S)-5,11-dimethyl-1,7-dioxaspiro[5.5]undecane-4,10-diol
SMILESC[C@@H]1[C@H](O)CCOC12OCC[C@@H](O)[C@@H]2C
InChIInChI=1S/C11H20O4/c1-7-9(12)3-5-14-11(7)8(2)10(13)4-6-15-11/h7-10,12-13H,3-6H2,1-2H3/t7-,8+,9-,10-,11?/m1/s1
InChIKeyYEYSFERXUCHUAO-SJWJCTCFSA-N
XLogP0.52
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R,5R,10R,11S)-5,11-dimethyl-1,7-dioxaspiro[5.5]undecane-4,10-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,5R,10R,11S)-5,11-dimethyl-1,7-dioxaspiro[5.5]undecane-4,10-diol?
The IUPAC name of (4R,5R,10R,11S)-5,11-dimethyl-1,7-dioxaspiro[5.5]undecane-4,10-diol (CID 11514035) is (4R,5R,10R,11S)-5,11-dimethyl-1,7-dioxaspiro[5.5]undecane-4,10-diol.
What is the SMILES notation for (4R,5R,10R,11S)-5,11-dimethyl-1,7-dioxaspiro[5.5]undecane-4,10-diol?
The canonical SMILES for (4R,5R,10R,11S)-5,11-dimethyl-1,7-dioxaspiro[5.5]undecane-4,10-diol is C[C@@H]1[C@H](O)CCOC12OCC[C@@H](O)[C@@H]2C.
What is the InChIKey of (4R,5R,10R,11S)-5,11-dimethyl-1,7-dioxaspiro[5.5]undecane-4,10-diol?
The InChIKey is YEYSFERXUCHUAO-SJWJCTCFSA-N. The full InChI is InChI=1S/C11H20O4/c1-7-9(12)3-5-14-11(7)8(2)10(13)4-6-15-11/h7-10,12-13H,3-6H2,1-2H3/t7-,8+,9-,10-,11?/m1/s1.
What are the key properties of (4R,5R,10R,11S)-5,11-dimethyl-1,7-dioxaspiro[5.5]undecane-4,10-diol?
(4R,5R,10R,11S)-5,11-dimethyl-1,7-dioxaspiro[5.5]undecane-4,10-diol has a molecular weight of 216.28 g/mol, XLogP of 0.52, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,10R,11S)-5,11-dimethyl-1,7-dioxaspiro[5.5]undecane-4,10-diol is sourced from PubChem (CID 11514035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).