pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,10-dione

C14H16O2 — CID 78226067

IUPACpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,10-dione
SMILESO=C1C2CC3C4CC5CC(C(C2)C3C5=O)C14
InChIInChI=1S/C14H16O2/c15-13-5-1-7-8-3-6-4-10(12(8)13)9(2-5)11(7)14(6)16/h5-12H,1-4H2
InChIKeyTVSHIFVVJLCWEH-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.68
Rot. Bonds

About pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,10-dione

pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,10-dione (PubChem CID 78226067) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,10-dione.

Molecular Properties

Compound Namepentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,10-dione
PubChem CID78226067
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Namepentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,10-dione
SMILESO=C1C2CC3C4CC5CC(C(C2)C3C5=O)C14
InChIInChI=1S/C14H16O2/c15-13-5-1-7-8-3-6-4-10(12(8)13)9(2-5)11(7)14(6)16/h5-12H,1-4H2
InChIKeyTVSHIFVVJLCWEH-UHFFFAOYSA-N
XLogP1.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,10-dione?
The IUPAC name of pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,10-dione (CID 78226067) is pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,10-dione.
What is the SMILES notation for pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,10-dione?
The canonical SMILES for pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,10-dione is O=C1C2CC3C4CC5CC(C(C2)C3C5=O)C14.
What is the InChIKey of pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,10-dione?
The InChIKey is TVSHIFVVJLCWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c15-13-5-1-7-8-3-6-4-10(12(8)13)9(2-5)11(7)14(6)16/h5-12H,1-4H2.
What are the key properties of pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,10-dione?
pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,10-dione has a molecular weight of 216.28 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,10-dione is sourced from PubChem (CID 78226067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).