(5S)-8,10-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione

C10H10O4 — CID 162401657

IUPAC(5S)-8,10-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione
SMILESCC1=CC(=O)[C@]2(OCC(=O)O2)C(C)=C1
InChIInChI=1S/C10H10O4/c1-6-3-7(2)10(8(11)4-6)13-5-9(12)14-10/h3-4H,5H2,1-2H3/t10-/m0/s1
InChIKeyYCLUFKFNKCQPBH-JTQLQIEISA-N
MW194.19 g/mol
LogP0.73
Rot. Bonds

About (5S)-8,10-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione

(5S)-8,10-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione (PubChem CID 162401657) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is (5S)-8,10-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione.

Molecular Properties

Compound Name(5S)-8,10-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione
PubChem CID162401657
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name(5S)-8,10-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione
SMILESCC1=CC(=O)[C@]2(OCC(=O)O2)C(C)=C1
InChIInChI=1S/C10H10O4/c1-6-3-7(2)10(8(11)4-6)13-5-9(12)14-10/h3-4H,5H2,1-2H3/t10-/m0/s1
InChIKeyYCLUFKFNKCQPBH-JTQLQIEISA-N
XLogP0.73
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-8,10-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione?
The IUPAC name of (5S)-8,10-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione (CID 162401657) is (5S)-8,10-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione.
What is the SMILES notation for (5S)-8,10-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione?
The canonical SMILES for (5S)-8,10-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione is CC1=CC(=O)[C@]2(OCC(=O)O2)C(C)=C1.
What is the InChIKey of (5S)-8,10-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione?
The InChIKey is YCLUFKFNKCQPBH-JTQLQIEISA-N. The full InChI is InChI=1S/C10H10O4/c1-6-3-7(2)10(8(11)4-6)13-5-9(12)14-10/h3-4H,5H2,1-2H3/t10-/m0/s1.
What are the key properties of (5S)-8,10-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione?
(5S)-8,10-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione has a molecular weight of 194.19 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-8,10-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione is sourced from PubChem (CID 162401657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).