9-[2-(2-methylcyclopent-3-en-1-yl)propan-2-yl]-9,9a-dihydro-8aH-fluorene

C22H26 — CID 20691831

IUPAC9-[2-(2-methylcyclopent-3-en-1-yl)propan-2-yl]-9,9a-dihydro-8aH-fluorene
SMILESCC1C=CCC1C(C)(C)C1C2C=CC=CC2=C2C=CC=CC21
InChIInChI=1S/C22H26/c1-15-9-8-14-20(15)22(2,3)21-18-12-6-4-10-16(18)17-11-5-7-13-19(17)21/h4-13,15,18-21H,14H2,1-3H3
InChIKeyYMPLXJRKGGWIJP-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.64
Rot. Bonds2

About 9-[2-(2-methylcyclopent-3-en-1-yl)propan-2-yl]-9,9a-dihydro-8aH-fluorene

9-[2-(2-methylcyclopent-3-en-1-yl)propan-2-yl]-9,9a-dihydro-8aH-fluorene (PubChem CID 20691831) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is 9-[2-(2-methylcyclopent-3-en-1-yl)propan-2-yl]-9,9a-dihydro-8aH-fluorene.

Molecular Properties

Compound Name9-[2-(2-methylcyclopent-3-en-1-yl)propan-2-yl]-9,9a-dihydro-8aH-fluorene
PubChem CID20691831
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Name9-[2-(2-methylcyclopent-3-en-1-yl)propan-2-yl]-9,9a-dihydro-8aH-fluorene
SMILESCC1C=CCC1C(C)(C)C1C2C=CC=CC2=C2C=CC=CC21
InChIInChI=1S/C22H26/c1-15-9-8-14-20(15)22(2,3)21-18-12-6-4-10-16(18)17-11-5-7-13-19(17)21/h4-13,15,18-21H,14H2,1-3H3
InChIKeyYMPLXJRKGGWIJP-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-[2-(2-methylcyclopent-3-en-1-yl)propan-2-yl]-9,9a-dihydro-8aH-fluorene 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 9-[2-(2-methylcyclopent-3-en-1-yl)propan-2-yl]-9,9a-dihydro-8aH-fluorene?
The IUPAC name of 9-[2-(2-methylcyclopent-3-en-1-yl)propan-2-yl]-9,9a-dihydro-8aH-fluorene (CID 20691831) is 9-[2-(2-methylcyclopent-3-en-1-yl)propan-2-yl]-9,9a-dihydro-8aH-fluorene.
What is the SMILES notation for 9-[2-(2-methylcyclopent-3-en-1-yl)propan-2-yl]-9,9a-dihydro-8aH-fluorene?
The canonical SMILES for 9-[2-(2-methylcyclopent-3-en-1-yl)propan-2-yl]-9,9a-dihydro-8aH-fluorene is CC1C=CCC1C(C)(C)C1C2C=CC=CC2=C2C=CC=CC21.
What is the InChIKey of 9-[2-(2-methylcyclopent-3-en-1-yl)propan-2-yl]-9,9a-dihydro-8aH-fluorene?
The InChIKey is YMPLXJRKGGWIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26/c1-15-9-8-14-20(15)22(2,3)21-18-12-6-4-10-16(18)17-11-5-7-13-19(17)21/h4-13,15,18-21H,14H2,1-3H3.
What are the key properties of 9-[2-(2-methylcyclopent-3-en-1-yl)propan-2-yl]-9,9a-dihydro-8aH-fluorene?
9-[2-(2-methylcyclopent-3-en-1-yl)propan-2-yl]-9,9a-dihydro-8aH-fluorene has a molecular weight of 290.45 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-methylcyclopent-3-en-1-yl)propan-2-yl]-9,9a-dihydro-8aH-fluorene is sourced from PubChem (CID 20691831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).