(5S,8R)-4,4,8-trimethyl-1-oxaspiro[4.5]decane-2,6-dione

C12H18O3 — CID 11789053

IUPAC(5S,8R)-4,4,8-trimethyl-1-oxaspiro[4.5]decane-2,6-dione
SMILESC[C@@H]1CC[C@@]2(OC(=O)CC2(C)C)C(=O)C1
InChIInChI=1S/C12H18O3/c1-8-4-5-12(9(13)6-8)11(2,3)7-10(14)15-12/h8H,4-7H2,1-3H3/t8-,12-/m1/s1
InChIKeyNALOBXIXOYGFCZ-PRHODGIISA-N
MW210.27 g/mol
LogP2.09
Rot. Bonds

About (5S,8R)-4,4,8-trimethyl-1-oxaspiro[4.5]decane-2,6-dione

(5S,8R)-4,4,8-trimethyl-1-oxaspiro[4.5]decane-2,6-dione (PubChem CID 11789053) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (5S,8R)-4,4,8-trimethyl-1-oxaspiro[4.5]decane-2,6-dione.

Molecular Properties

Compound Name(5S,8R)-4,4,8-trimethyl-1-oxaspiro[4.5]decane-2,6-dione
PubChem CID11789053
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(5S,8R)-4,4,8-trimethyl-1-oxaspiro[4.5]decane-2,6-dione
SMILESC[C@@H]1CC[C@@]2(OC(=O)CC2(C)C)C(=O)C1
InChIInChI=1S/C12H18O3/c1-8-4-5-12(9(13)6-8)11(2,3)7-10(14)15-12/h8H,4-7H2,1-3H3/t8-,12-/m1/s1
InChIKeyNALOBXIXOYGFCZ-PRHODGIISA-N
XLogP2.09
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,8R)-4,4,8-trimethyl-1-oxaspiro[4.5]decane-2,6-dione?
The IUPAC name of (5S,8R)-4,4,8-trimethyl-1-oxaspiro[4.5]decane-2,6-dione (CID 11789053) is (5S,8R)-4,4,8-trimethyl-1-oxaspiro[4.5]decane-2,6-dione.
What is the SMILES notation for (5S,8R)-4,4,8-trimethyl-1-oxaspiro[4.5]decane-2,6-dione?
The canonical SMILES for (5S,8R)-4,4,8-trimethyl-1-oxaspiro[4.5]decane-2,6-dione is C[C@@H]1CC[C@@]2(OC(=O)CC2(C)C)C(=O)C1.
What is the InChIKey of (5S,8R)-4,4,8-trimethyl-1-oxaspiro[4.5]decane-2,6-dione?
The InChIKey is NALOBXIXOYGFCZ-PRHODGIISA-N. The full InChI is InChI=1S/C12H18O3/c1-8-4-5-12(9(13)6-8)11(2,3)7-10(14)15-12/h8H,4-7H2,1-3H3/t8-,12-/m1/s1.
What are the key properties of (5S,8R)-4,4,8-trimethyl-1-oxaspiro[4.5]decane-2,6-dione?
(5S,8R)-4,4,8-trimethyl-1-oxaspiro[4.5]decane-2,6-dione has a molecular weight of 210.27 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8R)-4,4,8-trimethyl-1-oxaspiro[4.5]decane-2,6-dione is sourced from PubChem (CID 11789053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).