9,9,10-trimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one

C14H18O — CID 75168772

IUPAC9,9,10-trimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one
SMILESCC1=CC2C(=O)C(C)(C)C1C1CC=CC21
InChIInChI=1S/C14H18O/c1-8-7-11-9-5-4-6-10(9)12(8)14(2,3)13(11)15/h4-5,7,9-12H,6H2,1-3H3
InChIKeyAPKUEMOOHIDVNE-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.98
Rot. Bonds

About 9,9,10-trimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one

9,9,10-trimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one (PubChem CID 75168772) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 9,9,10-trimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one.

Molecular Properties

Compound Name9,9,10-trimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one
PubChem CID75168772
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name9,9,10-trimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one
SMILESCC1=CC2C(=O)C(C)(C)C1C1CC=CC21
InChIInChI=1S/C14H18O/c1-8-7-11-9-5-4-6-10(9)12(8)14(2,3)13(11)15/h4-5,7,9-12H,6H2,1-3H3
InChIKeyAPKUEMOOHIDVNE-UHFFFAOYSA-N
XLogP2.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.98
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,3S,4S,7R,8S)-3,6,6-trimethyltetracyclo[6.3.0.02,4.03,7]undec-10-en-5-one
CID 46192244
(1S,7S)-tricyclo[5.2.1.02,6]deca-3,8-dien-10-one
CID 102033792
nickel;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione;tricyclo[5.2.1.02,6]deca-3,8-diene
CID 88698888
(7R)-7-bromo-2,2,3-trimethylcyclohept-4-en-1-one
CID 101146474
(1R,2S,6S,7S)-tricyclo[5.2.2.02,6]undeca-4,10-dien-8-one
CID 11389554
2,6,6-trimethylbicyclo[2.2.0]hex-2-ene
CID 123178278
(1S,2R,6S,7S)-tricyclo[5.3.2.02,6]dodeca-3,9,11-trien-8-one
CID 130754405
(1S,4aS,4bS,8S,8aS,9aS)-1,8-dimethyl-1,4,4a,4b,5,8,8a,9a-octahydrofluoren-9-one
CID 10910958
4-methyltricyclo[5.2.1.02,6]deca-3,8-diene;8-methyltricyclo[5.2.1.02,6]deca-3,8-diene
CID 158066102
9,9-dimethoxy-10-methyl-3-oxatricyclo[5.2.2.02,6]undec-10-ene-4,8-dione
CID 100969480
3,3,5-trimethyl-7-[(E)-1-trimethylsilyloxyprop-1-enyl]bicyclo[2.2.2]oct-5-en-2-one
CID 102020096
(1R,2R,6R,7R)-8,8-dimethoxy-11-methyl-3-oxatricyclo[5.2.2.02,6]undec-10-en-9-one
CID 101086296

Frequently Asked Questions

What is the IUPAC name of 9,9,10-trimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one?
The IUPAC name of 9,9,10-trimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one (CID 75168772) is 9,9,10-trimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one.
What is the SMILES notation for 9,9,10-trimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one?
The canonical SMILES for 9,9,10-trimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one is CC1=CC2C(=O)C(C)(C)C1C1CC=CC21.
What is the InChIKey of 9,9,10-trimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one?
The InChIKey is APKUEMOOHIDVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-8-7-11-9-5-4-6-10(9)12(8)14(2,3)13(11)15/h4-5,7,9-12H,6H2,1-3H3.
What are the key properties of 9,9,10-trimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one?
9,9,10-trimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one has a molecular weight of 202.30 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,10-trimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one is sourced from PubChem (CID 75168772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).