1,1,3,3,4,4-hexamethyl-5,5a-dihydro-4aH-cyclopenta[g]isochromene

C18H26O — CID 67735846

IUPAC1,1,3,3,4,4-hexamethyl-5,5a-dihydro-4aH-cyclopenta[g]isochromene
SMILESCC1(C)OC(C)(C)C(C)(C)C2CC3C=CC=C3C=C21
InChIInChI=1S/C18H26O/c1-16(2)14-10-12-8-7-9-13(12)11-15(14)17(3,4)19-18(16,5)6/h7-9,11-12,14H,10H2,1-6H3
InChIKeyIZMHNKWHZGRHRR-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.66
Rot. Bonds

About 1,1,3,3,4,4-hexamethyl-5,5a-dihydro-4aH-cyclopenta[g]isochromene

1,1,3,3,4,4-hexamethyl-5,5a-dihydro-4aH-cyclopenta[g]isochromene (PubChem CID 67735846) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 1,1,3,3,4,4-hexamethyl-5,5a-dihydro-4aH-cyclopenta[g]isochromene.

Molecular Properties

Compound Name1,1,3,3,4,4-hexamethyl-5,5a-dihydro-4aH-cyclopenta[g]isochromene
PubChem CID67735846
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name1,1,3,3,4,4-hexamethyl-5,5a-dihydro-4aH-cyclopenta[g]isochromene
SMILESCC1(C)OC(C)(C)C(C)(C)C2CC3C=CC=C3C=C21
InChIInChI=1S/C18H26O/c1-16(2)14-10-12-8-7-9-13(12)11-15(14)17(3,4)19-18(16,5)6/h7-9,11-12,14H,10H2,1-6H3
InChIKeyIZMHNKWHZGRHRR-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1,3,3,4,4-hexamethyl-5,5a-dihydro-4aH-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 1,1,3,3,4,4-hexamethyl-5,5a-dihydro-4aH-cyclopenta[g]isochromene?
The IUPAC name of 1,1,3,3,4,4-hexamethyl-5,5a-dihydro-4aH-cyclopenta[g]isochromene (CID 67735846) is 1,1,3,3,4,4-hexamethyl-5,5a-dihydro-4aH-cyclopenta[g]isochromene.
What is the SMILES notation for 1,1,3,3,4,4-hexamethyl-5,5a-dihydro-4aH-cyclopenta[g]isochromene?
The canonical SMILES for 1,1,3,3,4,4-hexamethyl-5,5a-dihydro-4aH-cyclopenta[g]isochromene is CC1(C)OC(C)(C)C(C)(C)C2CC3C=CC=C3C=C21.
What is the InChIKey of 1,1,3,3,4,4-hexamethyl-5,5a-dihydro-4aH-cyclopenta[g]isochromene?
The InChIKey is IZMHNKWHZGRHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-16(2)14-10-12-8-7-9-13(12)11-15(14)17(3,4)19-18(16,5)6/h7-9,11-12,14H,10H2,1-6H3.
What are the key properties of 1,1,3,3,4,4-hexamethyl-5,5a-dihydro-4aH-cyclopenta[g]isochromene?
1,1,3,3,4,4-hexamethyl-5,5a-dihydro-4aH-cyclopenta[g]isochromene has a molecular weight of 258.40 g/mol, XLogP of 4.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,4,4-hexamethyl-5,5a-dihydro-4aH-cyclopenta[g]isochromene is sourced from PubChem (CID 67735846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).