(2R,6R,8R)-4-hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-3-en-10-one

C11H16O4 — CID 10727249

IUPAC(2R,6R,8R)-4-hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-3-en-10-one
SMILESC[C@@H]1C=C(O)C[C@]2(CC(=O)C[C@@H](C)O2)O1
InChIInChI=1S/C11H16O4/c1-7-3-9(12)5-11(14-7)6-10(13)4-8(2)15-11/h3,7-8,12H,4-6H2,1-2H3/t7-,8-,11+/m1/s1
InChIKeyLZPAPZMABNVZKJ-XLDPMVHQSA-N
MW212.24 g/mol
LogP1.70
Rot. Bonds

About (2R,6R,8R)-4-hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-3-en-10-one

(2R,6R,8R)-4-hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-3-en-10-one (PubChem CID 10727249) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is (2R,6R,8R)-4-hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-3-en-10-one.

Molecular Properties

Compound Name(2R,6R,8R)-4-hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-3-en-10-one
PubChem CID10727249
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name(2R,6R,8R)-4-hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-3-en-10-one
SMILESC[C@@H]1C=C(O)C[C@]2(CC(=O)C[C@@H](C)O2)O1
InChIInChI=1S/C11H16O4/c1-7-3-9(12)5-11(14-7)6-10(13)4-8(2)15-11/h3,7-8,12H,4-6H2,1-2H3/t7-,8-,11+/m1/s1
InChIKeyLZPAPZMABNVZKJ-XLDPMVHQSA-N
XLogP1.70
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,6R,8R)-4-hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-3-en-10-one?
The IUPAC name of (2R,6R,8R)-4-hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-3-en-10-one (CID 10727249) is (2R,6R,8R)-4-hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-3-en-10-one.
What is the SMILES notation for (2R,6R,8R)-4-hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-3-en-10-one?
The canonical SMILES for (2R,6R,8R)-4-hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-3-en-10-one is C[C@@H]1C=C(O)C[C@]2(CC(=O)C[C@@H](C)O2)O1.
What is the InChIKey of (2R,6R,8R)-4-hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-3-en-10-one?
The InChIKey is LZPAPZMABNVZKJ-XLDPMVHQSA-N. The full InChI is InChI=1S/C11H16O4/c1-7-3-9(12)5-11(14-7)6-10(13)4-8(2)15-11/h3,7-8,12H,4-6H2,1-2H3/t7-,8-,11+/m1/s1.
What are the key properties of (2R,6R,8R)-4-hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-3-en-10-one?
(2R,6R,8R)-4-hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-3-en-10-one has a molecular weight of 212.24 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R,8R)-4-hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-3-en-10-one is sourced from PubChem (CID 10727249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).