5,8,8-trimethyl-2-(2-methylphenyl)tricyclo[3.2.1.01,3]octan-4-one

C18H22O — CID 23284122

IUPAC5,8,8-trimethyl-2-(2-methylphenyl)tricyclo[3.2.1.01,3]octan-4-one
SMILESCc1ccccc1C1C2C(=O)C3(C)CCC21C3(C)C
InChIInChI=1S/C18H22O/c1-11-7-5-6-8-12(11)13-14-15(19)17(4)9-10-18(13,14)16(17,2)3/h5-8,13-14H,9-10H2,1-4H3
InChIKeyDMIJSUPYKWBULV-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.10
Rot. Bonds1

About 5,8,8-trimethyl-2-(2-methylphenyl)tricyclo[3.2.1.01,3]octan-4-one

5,8,8-trimethyl-2-(2-methylphenyl)tricyclo[3.2.1.01,3]octan-4-one (PubChem CID 23284122) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 5,8,8-trimethyl-2-(2-methylphenyl)tricyclo[3.2.1.01,3]octan-4-one.

Molecular Properties

Compound Name5,8,8-trimethyl-2-(2-methylphenyl)tricyclo[3.2.1.01,3]octan-4-one
PubChem CID23284122
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name5,8,8-trimethyl-2-(2-methylphenyl)tricyclo[3.2.1.01,3]octan-4-one
SMILESCc1ccccc1C1C2C(=O)C3(C)CCC21C3(C)C
InChIInChI=1S/C18H22O/c1-11-7-5-6-8-12(11)13-14-15(19)17(4)9-10-18(13,14)16(17,2)3/h5-8,13-14H,9-10H2,1-4H3
InChIKeyDMIJSUPYKWBULV-UHFFFAOYSA-N
XLogP4.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5,8,8-trimethyl-2-(2-methylphenyl)tricyclo[3.2.1.01,3]octan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,8,8-trimethyl-2-(2-methylphenyl)tricyclo[3.2.1.01,3]octan-4-one?
The IUPAC name of 5,8,8-trimethyl-2-(2-methylphenyl)tricyclo[3.2.1.01,3]octan-4-one (CID 23284122) is 5,8,8-trimethyl-2-(2-methylphenyl)tricyclo[3.2.1.01,3]octan-4-one.
What is the SMILES notation for 5,8,8-trimethyl-2-(2-methylphenyl)tricyclo[3.2.1.01,3]octan-4-one?
The canonical SMILES for 5,8,8-trimethyl-2-(2-methylphenyl)tricyclo[3.2.1.01,3]octan-4-one is Cc1ccccc1C1C2C(=O)C3(C)CCC21C3(C)C.
What is the InChIKey of 5,8,8-trimethyl-2-(2-methylphenyl)tricyclo[3.2.1.01,3]octan-4-one?
The InChIKey is DMIJSUPYKWBULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-11-7-5-6-8-12(11)13-14-15(19)17(4)9-10-18(13,14)16(17,2)3/h5-8,13-14H,9-10H2,1-4H3.
What are the key properties of 5,8,8-trimethyl-2-(2-methylphenyl)tricyclo[3.2.1.01,3]octan-4-one?
5,8,8-trimethyl-2-(2-methylphenyl)tricyclo[3.2.1.01,3]octan-4-one has a molecular weight of 254.37 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8,8-trimethyl-2-(2-methylphenyl)tricyclo[3.2.1.01,3]octan-4-one is sourced from PubChem (CID 23284122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).