(1S,2S,6S,7S)-tricyclo[5.3.0.02,6]decane-3,10-dione

C10H12O2 — CID 2752996

IUPAC(1S,2S,6S,7S)-tricyclo[5.3.0.02,6]decane-3,10-dione
SMILESO=C1CC[C@H]2[C@@H]3CCC(=O)[C@@H]3[C@@H]12
InChIInChI=1S/C10H12O2/c11-7-3-1-5-6-2-4-8(12)10(6)9(5)7/h5-6,9-10H,1-4H2/t5-,6-,9+,10+/m0/s1
InChIKeyQSFVWIHVZNPWID-DWAQLAQLSA-N
MW164.20 g/mol
LogP1.19
Rot. Bonds

About (1S,2S,6S,7S)-tricyclo[5.3.0.02,6]decane-3,10-dione

(1S,2S,6S,7S)-tricyclo[5.3.0.02,6]decane-3,10-dione (PubChem CID 2752996) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (1S,2S,6S,7S)-tricyclo[5.3.0.02,6]decane-3,10-dione.

Molecular Properties

Compound Name(1S,2S,6S,7S)-tricyclo[5.3.0.02,6]decane-3,10-dione
PubChem CID2752996
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(1S,2S,6S,7S)-tricyclo[5.3.0.02,6]decane-3,10-dione
SMILESO=C1CC[C@H]2[C@@H]3CCC(=O)[C@@H]3[C@@H]12
InChIInChI=1S/C10H12O2/c11-7-3-1-5-6-2-4-8(12)10(6)9(5)7/h5-6,9-10H,1-4H2/t5-,6-,9+,10+/m0/s1
InChIKeyQSFVWIHVZNPWID-DWAQLAQLSA-N
XLogP1.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,6S,7S)-tricyclo[5.3.0.02,6]decane-3,10-dione?
The IUPAC name of (1S,2S,6S,7S)-tricyclo[5.3.0.02,6]decane-3,10-dione (CID 2752996) is (1S,2S,6S,7S)-tricyclo[5.3.0.02,6]decane-3,10-dione.
What is the SMILES notation for (1S,2S,6S,7S)-tricyclo[5.3.0.02,6]decane-3,10-dione?
The canonical SMILES for (1S,2S,6S,7S)-tricyclo[5.3.0.02,6]decane-3,10-dione is O=C1CC[C@H]2[C@@H]3CCC(=O)[C@@H]3[C@@H]12.
What is the InChIKey of (1S,2S,6S,7S)-tricyclo[5.3.0.02,6]decane-3,10-dione?
The InChIKey is QSFVWIHVZNPWID-DWAQLAQLSA-N. The full InChI is InChI=1S/C10H12O2/c11-7-3-1-5-6-2-4-8(12)10(6)9(5)7/h5-6,9-10H,1-4H2/t5-,6-,9+,10+/m0/s1.
What are the key properties of (1S,2S,6S,7S)-tricyclo[5.3.0.02,6]decane-3,10-dione?
(1S,2S,6S,7S)-tricyclo[5.3.0.02,6]decane-3,10-dione has a molecular weight of 164.20 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6S,7S)-tricyclo[5.3.0.02,6]decane-3,10-dione is sourced from PubChem (CID 2752996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).