9-[[3-[5-[(2-methylpropan-2-yl)oxy]pentyl]cyclopenta-2,4-dien-1-yl]methyl]-9H-fluorene

C28H34O — CID 122578687

IUPAC9-[[3-[5-[(2-methylpropan-2-yl)oxy]pentyl]cyclopenta-2,4-dien-1-yl]methyl]-9H-fluorene
SMILESCC(C)(C)OCCCCCC1=CC(CC2c3ccccc3-c3ccccc32)C=C1
InChIInChI=1S/C28H34O/c1-28(2,3)29-18-10-4-5-11-21-16-17-22(19-21)20-27-25-14-8-6-12-23(25)24-13-7-9-15-26(24)27/h6-9,12-17,19,22,27H,4-5,10-11,18,20H2,1-3H3
InChIKeyXKWZJNHLZLAZBB-UHFFFAOYSA-N
MW386.58 g/mol
LogP7.68
Rot. Bonds8

About 9-[[3-[5-[(2-methylpropan-2-yl)oxy]pentyl]cyclopenta-2,4-dien-1-yl]methyl]-9H-fluorene

9-[[3-[5-[(2-methylpropan-2-yl)oxy]pentyl]cyclopenta-2,4-dien-1-yl]methyl]-9H-fluorene (PubChem CID 122578687) has the molecular formula C28H34O and a molecular weight of 386.58 g/mol. Its IUPAC name is 9-[[3-[5-[(2-methylpropan-2-yl)oxy]pentyl]cyclopenta-2,4-dien-1-yl]methyl]-9H-fluorene.

Molecular Properties

Compound Name9-[[3-[5-[(2-methylpropan-2-yl)oxy]pentyl]cyclopenta-2,4-dien-1-yl]methyl]-9H-fluorene
PubChem CID122578687
Molecular FormulaC28H34O
Molecular Weight386.58 g/mol
Exact Mass386.26
IUPAC Name9-[[3-[5-[(2-methylpropan-2-yl)oxy]pentyl]cyclopenta-2,4-dien-1-yl]methyl]-9H-fluorene
SMILESCC(C)(C)OCCCCCC1=CC(CC2c3ccccc3-c3ccccc32)C=C1
InChIInChI=1S/C28H34O/c1-28(2,3)29-18-10-4-5-11-21-16-17-22(19-21)20-27-25-14-8-6-12-23(25)24-13-7-9-15-26(24)27/h6-9,12-17,19,22,27H,4-5,10-11,18,20H2,1-3H3
InChIKeyXKWZJNHLZLAZBB-UHFFFAOYSA-N
XLogP7.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.58
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9-[[3-[5-[(2-methylpropan-2-yl)oxy]pentyl]cyclopenta-2,4-dien-1-yl]methyl]-9H-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-[[3-[5-[(2-methylpropan-2-yl)oxy]pentyl]cyclopenta-2,4-dien-1-yl]methyl]-9H-fluorene?
The IUPAC name of 9-[[3-[5-[(2-methylpropan-2-yl)oxy]pentyl]cyclopenta-2,4-dien-1-yl]methyl]-9H-fluorene (CID 122578687) is 9-[[3-[5-[(2-methylpropan-2-yl)oxy]pentyl]cyclopenta-2,4-dien-1-yl]methyl]-9H-fluorene.
What is the SMILES notation for 9-[[3-[5-[(2-methylpropan-2-yl)oxy]pentyl]cyclopenta-2,4-dien-1-yl]methyl]-9H-fluorene?
The canonical SMILES for 9-[[3-[5-[(2-methylpropan-2-yl)oxy]pentyl]cyclopenta-2,4-dien-1-yl]methyl]-9H-fluorene is CC(C)(C)OCCCCCC1=CC(CC2c3ccccc3-c3ccccc32)C=C1.
What is the InChIKey of 9-[[3-[5-[(2-methylpropan-2-yl)oxy]pentyl]cyclopenta-2,4-dien-1-yl]methyl]-9H-fluorene?
The InChIKey is XKWZJNHLZLAZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34O/c1-28(2,3)29-18-10-4-5-11-21-16-17-22(19-21)20-27-25-14-8-6-12-23(25)24-13-7-9-15-26(24)27/h6-9,12-17,19,22,27H,4-5,10-11,18,20H2,1-3H3.
What are the key properties of 9-[[3-[5-[(2-methylpropan-2-yl)oxy]pentyl]cyclopenta-2,4-dien-1-yl]methyl]-9H-fluorene?
9-[[3-[5-[(2-methylpropan-2-yl)oxy]pentyl]cyclopenta-2,4-dien-1-yl]methyl]-9H-fluorene has a molecular weight of 386.58 g/mol, XLogP of 7.68, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[3-[5-[(2-methylpropan-2-yl)oxy]pentyl]cyclopenta-2,4-dien-1-yl]methyl]-9H-fluorene is sourced from PubChem (CID 122578687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).