(2R,6R,8R,10S)-10-hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one

C11H18O4 — CID 134986307

IUPAC(2R,6R,8R,10S)-10-hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one
SMILESC[C@@H]1CC(=O)C[C@@]2(C[C@@H](O)C[C@@H](C)O2)O1
InChIInChI=1S/C11H18O4/c1-7-3-9(12)5-11(14-7)6-10(13)4-8(2)15-11/h7-9,12H,3-6H2,1-2H3/t7-,8-,9+,11-/m1/s1
InChIKeyCICANIYTUDESPH-SDNRWEOFSA-N
MW214.26 g/mol
LogP1.01
Rot. Bonds

About (2R,6R,8R,10S)-10-hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one

(2R,6R,8R,10S)-10-hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one (PubChem CID 134986307) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (2R,6R,8R,10S)-10-hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one.

Molecular Properties

Compound Name(2R,6R,8R,10S)-10-hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one
PubChem CID134986307
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(2R,6R,8R,10S)-10-hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one
SMILESC[C@@H]1CC(=O)C[C@@]2(C[C@@H](O)C[C@@H](C)O2)O1
InChIInChI=1S/C11H18O4/c1-7-3-9(12)5-11(14-7)6-10(13)4-8(2)15-11/h7-9,12H,3-6H2,1-2H3/t7-,8-,9+,11-/m1/s1
InChIKeyCICANIYTUDESPH-SDNRWEOFSA-N
XLogP1.01
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,6R,8R,10S)-10-hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one?
The IUPAC name of (2R,6R,8R,10S)-10-hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one (CID 134986307) is (2R,6R,8R,10S)-10-hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one.
What is the SMILES notation for (2R,6R,8R,10S)-10-hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one?
The canonical SMILES for (2R,6R,8R,10S)-10-hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one is C[C@@H]1CC(=O)C[C@@]2(C[C@@H](O)C[C@@H](C)O2)O1.
What is the InChIKey of (2R,6R,8R,10S)-10-hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one?
The InChIKey is CICANIYTUDESPH-SDNRWEOFSA-N. The full InChI is InChI=1S/C11H18O4/c1-7-3-9(12)5-11(14-7)6-10(13)4-8(2)15-11/h7-9,12H,3-6H2,1-2H3/t7-,8-,9+,11-/m1/s1.
What are the key properties of (2R,6R,8R,10S)-10-hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one?
(2R,6R,8R,10S)-10-hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one has a molecular weight of 214.26 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R,8R,10S)-10-hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one is sourced from PubChem (CID 134986307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).