(5S,6S)-6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione

C12H16O2 — CID 162623703

IUPAC(5S,6S)-6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione
SMILESCC1=CC(=O)C[C@H](C)[C@@]12CCC(=O)C2
InChIInChI=1S/C12H16O2/c1-8-5-11(14)6-9(2)12(8)4-3-10(13)7-12/h5,9H,3-4,6-7H2,1-2H3/t9-,12+/m0/s1
InChIKeyOGDKSKNHHSXJNA-JOYOIKCWSA-N
MW192.26 g/mol
LogP2.28
Rot. Bonds

About (5S,6S)-6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione

(5S,6S)-6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione (PubChem CID 162623703) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (5S,6S)-6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione.

Molecular Properties

Compound Name(5S,6S)-6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione
PubChem CID162623703
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(5S,6S)-6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione
SMILESCC1=CC(=O)C[C@H](C)[C@@]12CCC(=O)C2
InChIInChI=1S/C12H16O2/c1-8-5-11(14)6-9(2)12(8)4-3-10(13)7-12/h5,9H,3-4,6-7H2,1-2H3/t9-,12+/m0/s1
InChIKeyOGDKSKNHHSXJNA-JOYOIKCWSA-N
XLogP2.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5S,6S)-6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione?
The IUPAC name of (5S,6S)-6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione (CID 162623703) is (5S,6S)-6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione.
What is the SMILES notation for (5S,6S)-6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione?
The canonical SMILES for (5S,6S)-6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione is CC1=CC(=O)C[C@H](C)[C@@]12CCC(=O)C2.
What is the InChIKey of (5S,6S)-6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione?
The InChIKey is OGDKSKNHHSXJNA-JOYOIKCWSA-N. The full InChI is InChI=1S/C12H16O2/c1-8-5-11(14)6-9(2)12(8)4-3-10(13)7-12/h5,9H,3-4,6-7H2,1-2H3/t9-,12+/m0/s1.
What are the key properties of (5S,6S)-6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione?
(5S,6S)-6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione has a molecular weight of 192.26 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione is sourced from PubChem (CID 162623703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).