(2R,4R)-2,4-dimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one

C11H14O3 — CID 11805595

IUPAC(2R,4R)-2,4-dimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one
SMILESC[C@@H]1C[C@@H](C)OC2(C=CC(=O)C=C2)O1
InChIInChI=1S/C11H14O3/c1-8-7-9(2)14-11(13-8)5-3-10(12)4-6-11/h3-6,8-9H,7H2,1-2H3/t8-,9-/m1/s1
InChIKeyBNIJRAOENWXHTM-RKDXNWHRSA-N
MW194.23 g/mol
LogP1.59
Rot. Bonds

About (2R,4R)-2,4-dimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one

(2R,4R)-2,4-dimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one (PubChem CID 11805595) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2R,4R)-2,4-dimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one.

Molecular Properties

Compound Name(2R,4R)-2,4-dimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one
PubChem CID11805595
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(2R,4R)-2,4-dimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one
SMILESC[C@@H]1C[C@@H](C)OC2(C=CC(=O)C=C2)O1
InChIInChI=1S/C11H14O3/c1-8-7-9(2)14-11(13-8)5-3-10(12)4-6-11/h3-6,8-9H,7H2,1-2H3/t8-,9-/m1/s1
InChIKeyBNIJRAOENWXHTM-RKDXNWHRSA-N
XLogP1.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2,4-dimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one?
The IUPAC name of (2R,4R)-2,4-dimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one (CID 11805595) is (2R,4R)-2,4-dimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one.
What is the SMILES notation for (2R,4R)-2,4-dimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one?
The canonical SMILES for (2R,4R)-2,4-dimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one is C[C@@H]1C[C@@H](C)OC2(C=CC(=O)C=C2)O1.
What is the InChIKey of (2R,4R)-2,4-dimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one?
The InChIKey is BNIJRAOENWXHTM-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H14O3/c1-8-7-9(2)14-11(13-8)5-3-10(12)4-6-11/h3-6,8-9H,7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (2R,4R)-2,4-dimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one?
(2R,4R)-2,4-dimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one has a molecular weight of 194.23 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2,4-dimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one is sourced from PubChem (CID 11805595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).