(5R,7S)-7-methyl-6-oxaspiro[4.5]decane-4,9-dione

C10H14O3 — CID 134951818

IUPAC(5R,7S)-7-methyl-6-oxaspiro[4.5]decane-4,9-dione
SMILESC[C@H]1CC(=O)C[C@@]2(CCCC2=O)O1
InChIInChI=1S/C10H14O3/c1-7-5-8(11)6-10(13-7)4-2-3-9(10)12/h7H,2-6H2,1H3/t7-,10+/m0/s1
InChIKeyHRPCGIQAFLAHFX-OIBJUYFYSA-N
MW182.22 g/mol
LogP1.25
Rot. Bonds

About (5R,7S)-7-methyl-6-oxaspiro[4.5]decane-4,9-dione

(5R,7S)-7-methyl-6-oxaspiro[4.5]decane-4,9-dione (PubChem CID 134951818) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (5R,7S)-7-methyl-6-oxaspiro[4.5]decane-4,9-dione.

Molecular Properties

Compound Name(5R,7S)-7-methyl-6-oxaspiro[4.5]decane-4,9-dione
PubChem CID134951818
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(5R,7S)-7-methyl-6-oxaspiro[4.5]decane-4,9-dione
SMILESC[C@H]1CC(=O)C[C@@]2(CCCC2=O)O1
InChIInChI=1S/C10H14O3/c1-7-5-8(11)6-10(13-7)4-2-3-9(10)12/h7H,2-6H2,1H3/t7-,10+/m0/s1
InChIKeyHRPCGIQAFLAHFX-OIBJUYFYSA-N
XLogP1.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R,7S)-7-methyl-6-oxaspiro[4.5]decane-4,9-dione?
The IUPAC name of (5R,7S)-7-methyl-6-oxaspiro[4.5]decane-4,9-dione (CID 134951818) is (5R,7S)-7-methyl-6-oxaspiro[4.5]decane-4,9-dione.
What is the SMILES notation for (5R,7S)-7-methyl-6-oxaspiro[4.5]decane-4,9-dione?
The canonical SMILES for (5R,7S)-7-methyl-6-oxaspiro[4.5]decane-4,9-dione is C[C@H]1CC(=O)C[C@@]2(CCCC2=O)O1.
What is the InChIKey of (5R,7S)-7-methyl-6-oxaspiro[4.5]decane-4,9-dione?
The InChIKey is HRPCGIQAFLAHFX-OIBJUYFYSA-N. The full InChI is InChI=1S/C10H14O3/c1-7-5-8(11)6-10(13-7)4-2-3-9(10)12/h7H,2-6H2,1H3/t7-,10+/m0/s1.
What are the key properties of (5R,7S)-7-methyl-6-oxaspiro[4.5]decane-4,9-dione?
(5R,7S)-7-methyl-6-oxaspiro[4.5]decane-4,9-dione has a molecular weight of 182.22 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-7-methyl-6-oxaspiro[4.5]decane-4,9-dione is sourced from PubChem (CID 134951818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).