(1S,2S,6S,8R)-tricyclo[6.6.0.02,6]tetradecane-10,14-dione

C14H20O2 — CID 134971843

IUPAC(1S,2S,6S,8R)-tricyclo[6.6.0.02,6]tetradecane-10,14-dione
SMILESO=C1CCCC(=O)[C@H]2[C@@H](C1)C[C@@H]1CCC[C@@H]12
InChIInChI=1S/C14H20O2/c15-11-4-2-6-13(16)14-10(8-11)7-9-3-1-5-12(9)14/h9-10,12,14H,1-8H2/t9-,10+,12-,14-/m0/s1
InChIKeyIENVUIOIABHFLY-QPPBUOOMSA-N
MW220.31 g/mol
LogP2.75
Rot. Bonds

About (1S,2S,6S,8R)-tricyclo[6.6.0.02,6]tetradecane-10,14-dione

(1S,2S,6S,8R)-tricyclo[6.6.0.02,6]tetradecane-10,14-dione (PubChem CID 134971843) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (1S,2S,6S,8R)-tricyclo[6.6.0.02,6]tetradecane-10,14-dione.

Molecular Properties

Compound Name(1S,2S,6S,8R)-tricyclo[6.6.0.02,6]tetradecane-10,14-dione
PubChem CID134971843
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(1S,2S,6S,8R)-tricyclo[6.6.0.02,6]tetradecane-10,14-dione
SMILESO=C1CCCC(=O)[C@H]2[C@@H](C1)C[C@@H]1CCC[C@@H]12
InChIInChI=1S/C14H20O2/c15-11-4-2-6-13(16)14-10(8-11)7-9-3-1-5-12(9)14/h9-10,12,14H,1-8H2/t9-,10+,12-,14-/m0/s1
InChIKeyIENVUIOIABHFLY-QPPBUOOMSA-N
XLogP2.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,6S,8R)-tricyclo[6.6.0.02,6]tetradecane-10,14-dione?
The IUPAC name of (1S,2S,6S,8R)-tricyclo[6.6.0.02,6]tetradecane-10,14-dione (CID 134971843) is (1S,2S,6S,8R)-tricyclo[6.6.0.02,6]tetradecane-10,14-dione.
What is the SMILES notation for (1S,2S,6S,8R)-tricyclo[6.6.0.02,6]tetradecane-10,14-dione?
The canonical SMILES for (1S,2S,6S,8R)-tricyclo[6.6.0.02,6]tetradecane-10,14-dione is O=C1CCCC(=O)[C@H]2[C@@H](C1)C[C@@H]1CCC[C@@H]12.
What is the InChIKey of (1S,2S,6S,8R)-tricyclo[6.6.0.02,6]tetradecane-10,14-dione?
The InChIKey is IENVUIOIABHFLY-QPPBUOOMSA-N. The full InChI is InChI=1S/C14H20O2/c15-11-4-2-6-13(16)14-10(8-11)7-9-3-1-5-12(9)14/h9-10,12,14H,1-8H2/t9-,10+,12-,14-/m0/s1.
What are the key properties of (1S,2S,6S,8R)-tricyclo[6.6.0.02,6]tetradecane-10,14-dione?
(1S,2S,6S,8R)-tricyclo[6.6.0.02,6]tetradecane-10,14-dione has a molecular weight of 220.31 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6S,8R)-tricyclo[6.6.0.02,6]tetradecane-10,14-dione is sourced from PubChem (CID 134971843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).