tricyclo[6.3.3.01,8]tetradecane-10,13-dione

C14H20O2 — CID 2817973

IUPACtricyclo[6.3.3.01,8]tetradecane-10,13-dione
SMILESO=C1CC23CCCCCCC2(C1)CC(=O)C3
InChIInChI=1S/C14H20O2/c15-11-7-13-5-3-1-2-4-6-14(13,9-11)10-12(16)8-13/h1-10H2
InChIKeyPCXASZHJUJHLRY-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.04
Rot. Bonds

About tricyclo[6.3.3.01,8]tetradecane-10,13-dione

tricyclo[6.3.3.01,8]tetradecane-10,13-dione (PubChem CID 2817973) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is tricyclo[6.3.3.01,8]tetradecane-10,13-dione.

Molecular Properties

Compound Nametricyclo[6.3.3.01,8]tetradecane-10,13-dione
PubChem CID2817973
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Nametricyclo[6.3.3.01,8]tetradecane-10,13-dione
SMILESO=C1CC23CCCCCCC2(C1)CC(=O)C3
InChIInChI=1S/C14H20O2/c15-11-7-13-5-3-1-2-4-6-14(13,9-11)10-12(16)8-13/h1-10H2
InChIKeyPCXASZHJUJHLRY-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tricyclo[6.3.3.01,8]tetradecane-10,13-dione?
The IUPAC name of tricyclo[6.3.3.01,8]tetradecane-10,13-dione (CID 2817973) is tricyclo[6.3.3.01,8]tetradecane-10,13-dione.
What is the SMILES notation for tricyclo[6.3.3.01,8]tetradecane-10,13-dione?
The canonical SMILES for tricyclo[6.3.3.01,8]tetradecane-10,13-dione is O=C1CC23CCCCCCC2(C1)CC(=O)C3.
What is the InChIKey of tricyclo[6.3.3.01,8]tetradecane-10,13-dione?
The InChIKey is PCXASZHJUJHLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c15-11-7-13-5-3-1-2-4-6-14(13,9-11)10-12(16)8-13/h1-10H2.
What are the key properties of tricyclo[6.3.3.01,8]tetradecane-10,13-dione?
tricyclo[6.3.3.01,8]tetradecane-10,13-dione has a molecular weight of 220.31 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[6.3.3.01,8]tetradecane-10,13-dione is sourced from PubChem (CID 2817973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).