(6R,7S)-6,7-dimethyl-7-(2-oxopropyl)-1,4-dioxaspiro[4.5]decan-8-one

C13H20O4 — CID 11075566

IUPAC(6R,7S)-6,7-dimethyl-7-(2-oxopropyl)-1,4-dioxaspiro[4.5]decan-8-one
SMILESCC(=O)C[C@]1(C)C(=O)CCC2(OCCO2)[C@@H]1C
InChIInChI=1S/C13H20O4/c1-9(14)8-12(3)10(2)13(5-4-11(12)15)16-6-7-17-13/h10H,4-8H2,1-3H3/t10-,12+/m1/s1
InChIKeyVGIPZZMBDRMIJV-PWSUYJOCSA-N
MW240.30 g/mol
LogP1.71
Rot. Bonds2

About (6R,7S)-6,7-dimethyl-7-(2-oxopropyl)-1,4-dioxaspiro[4.5]decan-8-one

(6R,7S)-6,7-dimethyl-7-(2-oxopropyl)-1,4-dioxaspiro[4.5]decan-8-one (PubChem CID 11075566) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is (6R,7S)-6,7-dimethyl-7-(2-oxopropyl)-1,4-dioxaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name(6R,7S)-6,7-dimethyl-7-(2-oxopropyl)-1,4-dioxaspiro[4.5]decan-8-one
PubChem CID11075566
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name(6R,7S)-6,7-dimethyl-7-(2-oxopropyl)-1,4-dioxaspiro[4.5]decan-8-one
SMILESCC(=O)C[C@]1(C)C(=O)CCC2(OCCO2)[C@@H]1C
InChIInChI=1S/C13H20O4/c1-9(14)8-12(3)10(2)13(5-4-11(12)15)16-6-7-17-13/h10H,4-8H2,1-3H3/t10-,12+/m1/s1
InChIKeyVGIPZZMBDRMIJV-PWSUYJOCSA-N
XLogP1.71
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R,7S)-6,7-dimethyl-7-(2-oxopropyl)-1,4-dioxaspiro[4.5]decan-8-one?
The IUPAC name of (6R,7S)-6,7-dimethyl-7-(2-oxopropyl)-1,4-dioxaspiro[4.5]decan-8-one (CID 11075566) is (6R,7S)-6,7-dimethyl-7-(2-oxopropyl)-1,4-dioxaspiro[4.5]decan-8-one.
What is the SMILES notation for (6R,7S)-6,7-dimethyl-7-(2-oxopropyl)-1,4-dioxaspiro[4.5]decan-8-one?
The canonical SMILES for (6R,7S)-6,7-dimethyl-7-(2-oxopropyl)-1,4-dioxaspiro[4.5]decan-8-one is CC(=O)C[C@]1(C)C(=O)CCC2(OCCO2)[C@@H]1C.
What is the InChIKey of (6R,7S)-6,7-dimethyl-7-(2-oxopropyl)-1,4-dioxaspiro[4.5]decan-8-one?
The InChIKey is VGIPZZMBDRMIJV-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H20O4/c1-9(14)8-12(3)10(2)13(5-4-11(12)15)16-6-7-17-13/h10H,4-8H2,1-3H3/t10-,12+/m1/s1.
What are the key properties of (6R,7S)-6,7-dimethyl-7-(2-oxopropyl)-1,4-dioxaspiro[4.5]decan-8-one?
(6R,7S)-6,7-dimethyl-7-(2-oxopropyl)-1,4-dioxaspiro[4.5]decan-8-one has a molecular weight of 240.30 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S)-6,7-dimethyl-7-(2-oxopropyl)-1,4-dioxaspiro[4.5]decan-8-one is sourced from PubChem (CID 11075566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).