(5S)-7,8,10-trimethyl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione

C12H14O3 — CID 125477059

IUPAC(5S)-7,8,10-trimethyl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione
SMILESCC1=CC(C)=C(C)C(=O)[C@]12CCC(=O)O2
InChIInChI=1S/C12H14O3/c1-7-6-8(2)12(11(14)9(7)3)5-4-10(13)15-12/h6H,4-5H2,1-3H3/t12-/m0/s1
InChIKeyGIURVKCMWNNLHF-LBPRGKRZSA-N
MW206.24 g/mol
LogP1.93
Rot. Bonds

About (5S)-7,8,10-trimethyl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione

(5S)-7,8,10-trimethyl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione (PubChem CID 125477059) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (5S)-7,8,10-trimethyl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione.

Molecular Properties

Compound Name(5S)-7,8,10-trimethyl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione
PubChem CID125477059
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(5S)-7,8,10-trimethyl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione
SMILESCC1=CC(C)=C(C)C(=O)[C@]12CCC(=O)O2
InChIInChI=1S/C12H14O3/c1-7-6-8(2)12(11(14)9(7)3)5-4-10(13)15-12/h6H,4-5H2,1-3H3/t12-/m0/s1
InChIKeyGIURVKCMWNNLHF-LBPRGKRZSA-N
XLogP1.93
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-7,8,10-trimethyl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione?
The IUPAC name of (5S)-7,8,10-trimethyl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione (CID 125477059) is (5S)-7,8,10-trimethyl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione.
What is the SMILES notation for (5S)-7,8,10-trimethyl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione?
The canonical SMILES for (5S)-7,8,10-trimethyl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione is CC1=CC(C)=C(C)C(=O)[C@]12CCC(=O)O2.
What is the InChIKey of (5S)-7,8,10-trimethyl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione?
The InChIKey is GIURVKCMWNNLHF-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14O3/c1-7-6-8(2)12(11(14)9(7)3)5-4-10(13)15-12/h6H,4-5H2,1-3H3/t12-/m0/s1.
What are the key properties of (5S)-7,8,10-trimethyl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione?
(5S)-7,8,10-trimethyl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione has a molecular weight of 206.24 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7,8,10-trimethyl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione is sourced from PubChem (CID 125477059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).