6,10,10-trimethylbicyclo[7.2.0]undec-5-en-2-one

C14H22O — CID 4033896

IUPAC6,10,10-trimethylbicyclo[7.2.0]undec-5-en-2-one
SMILESCC1=CCCC(=O)C2CC(C)(C)C2CC1
InChIInChI=1S/C14H22O/c1-10-5-4-6-13(15)11-9-14(2,3)12(11)8-7-10/h5,11-12H,4,6-9H2,1-3H3
InChIKeyMBZBBVTYLUNZPJ-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.74
Rot. Bonds

About 6,10,10-trimethylbicyclo[7.2.0]undec-5-en-2-one

6,10,10-trimethylbicyclo[7.2.0]undec-5-en-2-one (PubChem CID 4033896) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 6,10,10-trimethylbicyclo[7.2.0]undec-5-en-2-one.

Molecular Properties

Compound Name6,10,10-trimethylbicyclo[7.2.0]undec-5-en-2-one
PubChem CID4033896
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name6,10,10-trimethylbicyclo[7.2.0]undec-5-en-2-one
SMILESCC1=CCCC(=O)C2CC(C)(C)C2CC1
InChIInChI=1S/C14H22O/c1-10-5-4-6-13(15)11-9-14(2,3)12(11)8-7-10/h5,11-12H,4,6-9H2,1-3H3
InChIKeyMBZBBVTYLUNZPJ-UHFFFAOYSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,10,10-trimethylbicyclo[7.2.0]undec-5-en-2-one?
The IUPAC name of 6,10,10-trimethylbicyclo[7.2.0]undec-5-en-2-one (CID 4033896) is 6,10,10-trimethylbicyclo[7.2.0]undec-5-en-2-one.
What is the SMILES notation for 6,10,10-trimethylbicyclo[7.2.0]undec-5-en-2-one?
The canonical SMILES for 6,10,10-trimethylbicyclo[7.2.0]undec-5-en-2-one is CC1=CCCC(=O)C2CC(C)(C)C2CC1.
What is the InChIKey of 6,10,10-trimethylbicyclo[7.2.0]undec-5-en-2-one?
The InChIKey is MBZBBVTYLUNZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-10-5-4-6-13(15)11-9-14(2,3)12(11)8-7-10/h5,11-12H,4,6-9H2,1-3H3.
What are the key properties of 6,10,10-trimethylbicyclo[7.2.0]undec-5-en-2-one?
6,10,10-trimethylbicyclo[7.2.0]undec-5-en-2-one has a molecular weight of 206.33 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10,10-trimethylbicyclo[7.2.0]undec-5-en-2-one is sourced from PubChem (CID 4033896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).