(6R,8R,11R)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one

C13H20O3 — CID 70395354

IUPAC(6R,8R,11R)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one
SMILESCC(C)[C@H]1CC[C@@H](C)C[C@]12OC=CC(=O)O2
InChIInChI=1S/C13H20O3/c1-9(2)11-5-4-10(3)8-13(11)15-7-6-12(14)16-13/h6-7,9-11H,4-5,8H2,1-3H3/t10-,11-,13-/m1/s1
InChIKeyZLKDTNRIFRRSQN-NQBHXWOUSA-N
MW224.30 g/mol
LogP2.86
Rot. Bonds1

About (6R,8R,11R)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one

(6R,8R,11R)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one (PubChem CID 70395354) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is (6R,8R,11R)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one.

Molecular Properties

Compound Name(6R,8R,11R)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one
PubChem CID70395354
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name(6R,8R,11R)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one
SMILESCC(C)[C@H]1CC[C@@H](C)C[C@]12OC=CC(=O)O2
InChIInChI=1S/C13H20O3/c1-9(2)11-5-4-10(3)8-13(11)15-7-6-12(14)16-13/h6-7,9-11H,4-5,8H2,1-3H3/t10-,11-,13-/m1/s1
InChIKeyZLKDTNRIFRRSQN-NQBHXWOUSA-N
XLogP2.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R,8R,11R)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one?
The IUPAC name of (6R,8R,11R)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one (CID 70395354) is (6R,8R,11R)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one.
What is the SMILES notation for (6R,8R,11R)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one?
The canonical SMILES for (6R,8R,11R)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one is CC(C)[C@H]1CC[C@@H](C)C[C@]12OC=CC(=O)O2.
What is the InChIKey of (6R,8R,11R)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one?
The InChIKey is ZLKDTNRIFRRSQN-NQBHXWOUSA-N. The full InChI is InChI=1S/C13H20O3/c1-9(2)11-5-4-10(3)8-13(11)15-7-6-12(14)16-13/h6-7,9-11H,4-5,8H2,1-3H3/t10-,11-,13-/m1/s1.
What are the key properties of (6R,8R,11R)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one?
(6R,8R,11R)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one has a molecular weight of 224.30 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8R,11R)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one is sourced from PubChem (CID 70395354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).