4,5,10,14-tetramethyltetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one

C19H22O — CID 58637005

IUPAC4,5,10,14-tetramethyltetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one
SMILESCC1=C2c3ccc(C)c(C)c3CC23CC(CC3C)C1=O
InChIInChI=1S/C19H22O/c1-10-5-6-15-16(12(10)3)9-19-8-14(7-11(19)2)18(20)13(4)17(15)19/h5-6,11,14H,7-9H2,1-4H3
InChIKeyIVJOUUGIJPJQLF-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.25
Rot. Bonds

About 4,5,10,14-tetramethyltetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one

4,5,10,14-tetramethyltetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one (PubChem CID 58637005) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 4,5,10,14-tetramethyltetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one.

Molecular Properties

Compound Name4,5,10,14-tetramethyltetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one
PubChem CID58637005
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name4,5,10,14-tetramethyltetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one
SMILESCC1=C2c3ccc(C)c(C)c3CC23CC(CC3C)C1=O
InChIInChI=1S/C19H22O/c1-10-5-6-15-16(12(10)3)9-19-8-14(7-11(19)2)18(20)13(4)17(15)19/h5-6,11,14H,7-9H2,1-4H3
InChIKeyIVJOUUGIJPJQLF-UHFFFAOYSA-N
XLogP4.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,5,10,14-tetramethyltetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-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 4,5,10,14-tetramethyltetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one?
The IUPAC name of 4,5,10,14-tetramethyltetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one (CID 58637005) is 4,5,10,14-tetramethyltetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one.
What is the SMILES notation for 4,5,10,14-tetramethyltetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one?
The canonical SMILES for 4,5,10,14-tetramethyltetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one is CC1=C2c3ccc(C)c(C)c3CC23CC(CC3C)C1=O.
What is the InChIKey of 4,5,10,14-tetramethyltetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one?
The InChIKey is IVJOUUGIJPJQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-10-5-6-15-16(12(10)3)9-19-8-14(7-11(19)2)18(20)13(4)17(15)19/h5-6,11,14H,7-9H2,1-4H3.
What are the key properties of 4,5,10,14-tetramethyltetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one?
4,5,10,14-tetramethyltetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one has a molecular weight of 266.38 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,10,14-tetramethyltetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one is sourced from PubChem (CID 58637005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).