3,4,4a,5,5a,8a-hexamethyl-3,4,5,6-tetrahydro-1H-cyclopenta[g]isochromene

C18H28O — CID 67735845

IUPAC3,4,4a,5,5a,8a-hexamethyl-3,4,5,6-tetrahydro-1H-cyclopenta[g]isochromene
SMILESCC1OCC2=CC3(C)C=CCC3(C)C(C)C2(C)C1C
InChIInChI=1S/C18H28O/c1-12-13(2)19-11-15-10-16(4)8-7-9-17(16,5)14(3)18(12,15)6/h7-8,10,12-14H,9,11H2,1-6H3
InChIKeyJKEFDWDDQRRPIZ-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.60
Rot. Bonds

About 3,4,4a,5,5a,8a-hexamethyl-3,4,5,6-tetrahydro-1H-cyclopenta[g]isochromene

3,4,4a,5,5a,8a-hexamethyl-3,4,5,6-tetrahydro-1H-cyclopenta[g]isochromene (PubChem CID 67735845) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 3,4,4a,5,5a,8a-hexamethyl-3,4,5,6-tetrahydro-1H-cyclopenta[g]isochromene.

Molecular Properties

Compound Name3,4,4a,5,5a,8a-hexamethyl-3,4,5,6-tetrahydro-1H-cyclopenta[g]isochromene
PubChem CID67735845
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name3,4,4a,5,5a,8a-hexamethyl-3,4,5,6-tetrahydro-1H-cyclopenta[g]isochromene
SMILESCC1OCC2=CC3(C)C=CCC3(C)C(C)C2(C)C1C
InChIInChI=1S/C18H28O/c1-12-13(2)19-11-15-10-16(4)8-7-9-17(16,5)14(3)18(12,15)6/h7-8,10,12-14H,9,11H2,1-6H3
InChIKeyJKEFDWDDQRRPIZ-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4,4a,5,5a,8a-hexamethyl-3,4,5,6-tetrahydro-1H-cyclopenta[g]isochromene 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 3,4,4a,5,5a,8a-hexamethyl-3,4,5,6-tetrahydro-1H-cyclopenta[g]isochromene?
The IUPAC name of 3,4,4a,5,5a,8a-hexamethyl-3,4,5,6-tetrahydro-1H-cyclopenta[g]isochromene (CID 67735845) is 3,4,4a,5,5a,8a-hexamethyl-3,4,5,6-tetrahydro-1H-cyclopenta[g]isochromene.
What is the SMILES notation for 3,4,4a,5,5a,8a-hexamethyl-3,4,5,6-tetrahydro-1H-cyclopenta[g]isochromene?
The canonical SMILES for 3,4,4a,5,5a,8a-hexamethyl-3,4,5,6-tetrahydro-1H-cyclopenta[g]isochromene is CC1OCC2=CC3(C)C=CCC3(C)C(C)C2(C)C1C.
What is the InChIKey of 3,4,4a,5,5a,8a-hexamethyl-3,4,5,6-tetrahydro-1H-cyclopenta[g]isochromene?
The InChIKey is JKEFDWDDQRRPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-12-13(2)19-11-15-10-16(4)8-7-9-17(16,5)14(3)18(12,15)6/h7-8,10,12-14H,9,11H2,1-6H3.
What are the key properties of 3,4,4a,5,5a,8a-hexamethyl-3,4,5,6-tetrahydro-1H-cyclopenta[g]isochromene?
3,4,4a,5,5a,8a-hexamethyl-3,4,5,6-tetrahydro-1H-cyclopenta[g]isochromene has a molecular weight of 260.42 g/mol, XLogP of 4.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5,5a,8a-hexamethyl-3,4,5,6-tetrahydro-1H-cyclopenta[g]isochromene is sourced from PubChem (CID 67735845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).