tricyclo[6.2.2.02,7]dodeca-4,11-dien-9-one

C12H14O — CID 130037715

IUPACtricyclo[6.2.2.02,7]dodeca-4,11-dien-9-one
SMILESO=C1CC2C=CC1C1CC=CCC21
InChIInChI=1S/C12H14O/c13-12-7-8-5-6-11(12)10-4-2-1-3-9(8)10/h1-2,5-6,8-11H,3-4,7H2
InChIKeyLRMSMUZCUFFPPU-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.34
Rot. Bonds

About tricyclo[6.2.2.02,7]dodeca-4,11-dien-9-one

tricyclo[6.2.2.02,7]dodeca-4,11-dien-9-one (PubChem CID 130037715) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is tricyclo[6.2.2.02,7]dodeca-4,11-dien-9-one.

Molecular Properties

Compound Nametricyclo[6.2.2.02,7]dodeca-4,11-dien-9-one
PubChem CID130037715
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Nametricyclo[6.2.2.02,7]dodeca-4,11-dien-9-one
SMILESO=C1CC2C=CC1C1CC=CCC21
InChIInChI=1S/C12H14O/c13-12-7-8-5-6-11(12)10-4-2-1-3-9(8)10/h1-2,5-6,8-11H,3-4,7H2
InChIKeyLRMSMUZCUFFPPU-UHFFFAOYSA-N
XLogP2.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,6S,7S)-tricyclo[5.2.2.02,6]undeca-4,10-dien-8-one
CID 11389554
bicyclo[2.2.0]hex-5-en-2-one
CID 139618189
7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one
CID 4179838
(1R,4R,7R)-7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one
CID 124553090
(1R,5S)-bicyclo[3.2.0]hept-3-en-6-one
CID 10986171
(1S,7S)-tricyclo[5.2.1.02,6]deca-3,8-dien-10-one
CID 102033792
bicyclo[4.2.0]oct-4-ene-2,7-dione
CID 130037819
(1R,4S,7S,8S)-7,8-bis(phenylmethoxy)bicyclo[2.2.2]oct-5-en-2-one
CID 71376206
bicyclo[2.1.0]pent-2-en-5-one
CID 71441751
bicyclo[2.2.1]hepta-2,5-diene;methane;tricyclo[6.2.1.02,7]undeca-4,9-diene
CID 157423842
tricyclo[5.2.1.02,6]dec-8-en-4-one
CID 548712
(9Z)-4-oxatricyclo[5.4.2.02,6]trideca-9,12-diene-3,5-dione
CID 87612264

Frequently Asked Questions

What is the IUPAC name of tricyclo[6.2.2.02,7]dodeca-4,11-dien-9-one?
The IUPAC name of tricyclo[6.2.2.02,7]dodeca-4,11-dien-9-one (CID 130037715) is tricyclo[6.2.2.02,7]dodeca-4,11-dien-9-one.
What is the SMILES notation for tricyclo[6.2.2.02,7]dodeca-4,11-dien-9-one?
The canonical SMILES for tricyclo[6.2.2.02,7]dodeca-4,11-dien-9-one is O=C1CC2C=CC1C1CC=CCC21.
What is the InChIKey of tricyclo[6.2.2.02,7]dodeca-4,11-dien-9-one?
The InChIKey is LRMSMUZCUFFPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c13-12-7-8-5-6-11(12)10-4-2-1-3-9(8)10/h1-2,5-6,8-11H,3-4,7H2.
What are the key properties of tricyclo[6.2.2.02,7]dodeca-4,11-dien-9-one?
tricyclo[6.2.2.02,7]dodeca-4,11-dien-9-one has a molecular weight of 174.24 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[6.2.2.02,7]dodeca-4,11-dien-9-one is sourced from PubChem (CID 130037715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).