11-methyltricyclo[5.4.0.02,11]undec-7-en-3-one

C12H16O — CID 14017052

IUPAC11-methyltricyclo[5.4.0.02,11]undec-7-en-3-one
SMILESCC12CCC=C3CCCC(=O)C1C32
InChIInChI=1S/C12H16O/c1-12-7-3-5-8-4-2-6-9(13)11(12)10(8)12/h5,10-11H,2-4,6-7H2,1H3
InChIKeyIOSVIRIXILAJEU-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.71
Rot. Bonds

About 11-methyltricyclo[5.4.0.02,11]undec-7-en-3-one

11-methyltricyclo[5.4.0.02,11]undec-7-en-3-one (PubChem CID 14017052) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 11-methyltricyclo[5.4.0.02,11]undec-7-en-3-one.

Molecular Properties

Compound Name11-methyltricyclo[5.4.0.02,11]undec-7-en-3-one
PubChem CID14017052
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name11-methyltricyclo[5.4.0.02,11]undec-7-en-3-one
SMILESCC12CCC=C3CCCC(=O)C1C32
InChIInChI=1S/C12H16O/c1-12-7-3-5-8-4-2-6-9(13)11(12)10(8)12/h5,10-11H,2-4,6-7H2,1H3
InChIKeyIOSVIRIXILAJEU-UHFFFAOYSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.71
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

(3aS,5aR,8bS)-5a-methyl-2,3,3a,4,6,7,8,8b-octahydroacenaphthylen-5-one
CID 102506672
(1R,6S)-7,7-dimethylbicyclo[4.1.0]heptan-2-one
CID 100979863
(4S,8R,13S)-8-methyltricyclo[6.4.1.04,13]tridec-1-en-7-one
CID 102506104
7,7,8,8-tetramethyl-3,4,4a,5,6,8a-hexahydro-2H-naphthalen-1-one
CID 134587249
(1S,6Z)-11,11-dimethyl-8-methylidenebicyclo[5.3.1]undec-6-en-2-one
CID 177435836
11,11-dimethylbicyclo[5.3.1]undec-6-en-2-one
CID 24975296
(4aS,8aR)-4a,8-dimethyl-1,3,4,5,6,8a-hexahydronaphthalen-2-one
CID 129409996
(3aS,7aS)-7a-methyl-3-phenoxy-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 15806469
4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-10-methyltricyclo[4.4.0.02,10]dec-6-en-3-one
CID 117070662
6-(hydroxymethyl)-5-methylbicyclo[3.1.0]hexan-2-one
CID 573500
(3aR,7aR)-1,7a-dimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 59084008
(4aS)-4a-methyl-2,3,4,5,6,7-hexahydronaphthalen-1-one
CID 121224258

Frequently Asked Questions

What is the IUPAC name of 11-methyltricyclo[5.4.0.02,11]undec-7-en-3-one?
The IUPAC name of 11-methyltricyclo[5.4.0.02,11]undec-7-en-3-one (CID 14017052) is 11-methyltricyclo[5.4.0.02,11]undec-7-en-3-one.
What is the SMILES notation for 11-methyltricyclo[5.4.0.02,11]undec-7-en-3-one?
The canonical SMILES for 11-methyltricyclo[5.4.0.02,11]undec-7-en-3-one is CC12CCC=C3CCCC(=O)C1C32.
What is the InChIKey of 11-methyltricyclo[5.4.0.02,11]undec-7-en-3-one?
The InChIKey is IOSVIRIXILAJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-12-7-3-5-8-4-2-6-9(13)11(12)10(8)12/h5,10-11H,2-4,6-7H2,1H3.
What are the key properties of 11-methyltricyclo[5.4.0.02,11]undec-7-en-3-one?
11-methyltricyclo[5.4.0.02,11]undec-7-en-3-one has a molecular weight of 176.26 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyltricyclo[5.4.0.02,11]undec-7-en-3-one is sourced from PubChem (CID 14017052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).