(1R,9R)-4,4,10-trimethyltricyclo[7.3.1.01,6]trideca-6,10-diene-2,8-dione

C16H20O2 — CID 6932682

IUPAC(1R,9R)-4,4,10-trimethyltricyclo[7.3.1.01,6]trideca-6,10-diene-2,8-dione
SMILESCC1=CC[C@@]23C[C@H]1C(=O)C=C2CC(C)(C)CC3=O
InChIInChI=1S/C16H20O2/c1-10-4-5-16-8-12(10)13(17)6-11(16)7-15(2,3)9-14(16)18/h4,6,12H,5,7-9H2,1-3H3/t12-,16-/m1/s1
InChIKeyHNYFEPMUHNBUCT-MLGOLLRUSA-N
MW244.33 g/mol
LogP3.23
Rot. Bonds

About (1R,9R)-4,4,10-trimethyltricyclo[7.3.1.01,6]trideca-6,10-diene-2,8-dione

(1R,9R)-4,4,10-trimethyltricyclo[7.3.1.01,6]trideca-6,10-diene-2,8-dione (PubChem CID 6932682) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is (1R,9R)-4,4,10-trimethyltricyclo[7.3.1.01,6]trideca-6,10-diene-2,8-dione.

Molecular Properties

Compound Name(1R,9R)-4,4,10-trimethyltricyclo[7.3.1.01,6]trideca-6,10-diene-2,8-dione
PubChem CID6932682
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name(1R,9R)-4,4,10-trimethyltricyclo[7.3.1.01,6]trideca-6,10-diene-2,8-dione
SMILESCC1=CC[C@@]23C[C@H]1C(=O)C=C2CC(C)(C)CC3=O
InChIInChI=1S/C16H20O2/c1-10-4-5-16-8-12(10)13(17)6-11(16)7-15(2,3)9-14(16)18/h4,6,12H,5,7-9H2,1-3H3/t12-,16-/m1/s1
InChIKeyHNYFEPMUHNBUCT-MLGOLLRUSA-N
XLogP3.23
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,9R)-4,4,10-trimethyltricyclo[7.3.1.01,6]trideca-6,10-diene-2,8-dione with MolForge

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Related Compounds

(1R,5R)-1,4-dimethylbicyclo[3.2.1]oct-3-en-6-one
CID 130942088
(1-chloro-4,4-dimethyl-2,6-dioxocyclohexyl) formate
CID 12664635
(3aS,6aR)-3,5,5-trimethyl-3a,4,6,6a-tetrahydropentalen-1-one
CID 101187822
CID 70522560
CID 70522560
copper;3,5,5-trimethylcyclohex-2-en-1-one
CID 159197874
(1S,5R,7S)-5,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene
CID 162889144
2-bromo-3,7,7-trimethylcyclooct-3-en-1-one
CID 131870974
(1R,5R)-1-[[(Z)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methylideneamino]carbamoyl]-4-methyl-5-phenylcyclohex-3-ene-1-carboxylic acid
CID 136877822
(1R,2R)-2,6,6,11-tetramethyltricyclo[5.4.0.02,8]undec-10-en-9-one
CID 177389635
(1S,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one
CID 6973629
(5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one
CID 88978622
4,8,8-trimethylbicyclo[3.2.1]oct-3-en-2-one
CID 130036358

Frequently Asked Questions

What is the IUPAC name of (1R,9R)-4,4,10-trimethyltricyclo[7.3.1.01,6]trideca-6,10-diene-2,8-dione?
The IUPAC name of (1R,9R)-4,4,10-trimethyltricyclo[7.3.1.01,6]trideca-6,10-diene-2,8-dione (CID 6932682) is (1R,9R)-4,4,10-trimethyltricyclo[7.3.1.01,6]trideca-6,10-diene-2,8-dione.
What is the SMILES notation for (1R,9R)-4,4,10-trimethyltricyclo[7.3.1.01,6]trideca-6,10-diene-2,8-dione?
The canonical SMILES for (1R,9R)-4,4,10-trimethyltricyclo[7.3.1.01,6]trideca-6,10-diene-2,8-dione is CC1=CC[C@@]23C[C@H]1C(=O)C=C2CC(C)(C)CC3=O.
What is the InChIKey of (1R,9R)-4,4,10-trimethyltricyclo[7.3.1.01,6]trideca-6,10-diene-2,8-dione?
The InChIKey is HNYFEPMUHNBUCT-MLGOLLRUSA-N. The full InChI is InChI=1S/C16H20O2/c1-10-4-5-16-8-12(10)13(17)6-11(16)7-15(2,3)9-14(16)18/h4,6,12H,5,7-9H2,1-3H3/t12-,16-/m1/s1.
What are the key properties of (1R,9R)-4,4,10-trimethyltricyclo[7.3.1.01,6]trideca-6,10-diene-2,8-dione?
(1R,9R)-4,4,10-trimethyltricyclo[7.3.1.01,6]trideca-6,10-diene-2,8-dione has a molecular weight of 244.33 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R)-4,4,10-trimethyltricyclo[7.3.1.01,6]trideca-6,10-diene-2,8-dione is sourced from PubChem (CID 6932682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).