tricyclo[5.3.1.12,6]dodecane-11,12-dione

C12H16O2 — CID 605937

IUPACtricyclo[5.3.1.12,6]dodecane-11,12-dione
SMILESO=C1C2CCCC1C1CCCC2C1=O
InChIInChI=1S/C12H16O2/c13-11-7-3-1-4-8(11)10-6-2-5-9(7)12(10)14/h7-10H,1-6H2
InChIKeyMVMJKWBGQIOQOS-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.97
Rot. Bonds

About tricyclo[5.3.1.12,6]dodecane-11,12-dione

tricyclo[5.3.1.12,6]dodecane-11,12-dione (PubChem CID 605937) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is tricyclo[5.3.1.12,6]dodecane-11,12-dione.

Molecular Properties

Compound Nametricyclo[5.3.1.12,6]dodecane-11,12-dione
PubChem CID605937
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Nametricyclo[5.3.1.12,6]dodecane-11,12-dione
SMILESO=C1C2CCCC1C1CCCC2C1=O
InChIInChI=1S/C12H16O2/c13-11-7-3-1-4-8(11)10-6-2-5-9(7)12(10)14/h7-10H,1-6H2
InChIKeyMVMJKWBGQIOQOS-UHFFFAOYSA-N
XLogP1.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 154595410
trans-(2S,6S)-2,6-dicyclohexylcyclohexan-1-one
CID 36691423
1-methyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene-9,10-dione
CID 69029801
9,10-dioxo-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene-1-carboxylic acid
CID 140883175
(1R,4R,6S,9R)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione
CID 97047562
(1S,4S,6R,9S)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione
CID 124527531
(1S,3R,5S,7S)-tricyclo[5.1.0.03,5]octane-2,6-dione
CID 98164011
(1S,3S,5R,8R)-tricyclo[6.4.0.03,5]dodecan-2-one
CID 132503865
6-azabicyclo[3.2.0]heptan-7-one
CID 549320
(1S,5S)-bicyclo[3.2.0]heptan-6-one;(1R,5R)-bicyclo[3.2.0]heptan-6-one
CID 161069334
2,17-diazaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triacontane-5,12,20,27-tetrone
CID 51522264
2-hydroxy-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione
CID 155011867

Frequently Asked Questions

What is the IUPAC name of tricyclo[5.3.1.12,6]dodecane-11,12-dione?
The IUPAC name of tricyclo[5.3.1.12,6]dodecane-11,12-dione (CID 605937) is tricyclo[5.3.1.12,6]dodecane-11,12-dione.
What is the SMILES notation for tricyclo[5.3.1.12,6]dodecane-11,12-dione?
The canonical SMILES for tricyclo[5.3.1.12,6]dodecane-11,12-dione is O=C1C2CCCC1C1CCCC2C1=O.
What is the InChIKey of tricyclo[5.3.1.12,6]dodecane-11,12-dione?
The InChIKey is MVMJKWBGQIOQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c13-11-7-3-1-4-8(11)10-6-2-5-9(7)12(10)14/h7-10H,1-6H2.
What are the key properties of tricyclo[5.3.1.12,6]dodecane-11,12-dione?
tricyclo[5.3.1.12,6]dodecane-11,12-dione has a molecular weight of 192.26 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[5.3.1.12,6]dodecane-11,12-dione is sourced from PubChem (CID 605937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).