5-cyclopentylidene-2-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene

C20H32O — CID 178090513

IUPAC5-cyclopentylidene-2-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene
SMILESCC(C)(C)OCCCCCCC1=CC(=C2CCCC2)C=C1
InChIInChI=1S/C20H32O/c1-20(2,3)21-15-9-5-4-6-10-17-13-14-19(16-17)18-11-7-8-12-18/h13-14,16H,4-12,15H2,1-3H3
InChIKeyKTVUUIUJKMQBIM-UHFFFAOYSA-N
MW288.47 g/mol
LogP6.12
Rot. Bonds7

About 5-cyclopentylidene-2-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene

5-cyclopentylidene-2-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene (PubChem CID 178090513) has the molecular formula C20H32O and a molecular weight of 288.47 g/mol. Its IUPAC name is 5-cyclopentylidene-2-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-cyclopentylidene-2-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene
PubChem CID178090513
Molecular FormulaC20H32O
Molecular Weight288.47 g/mol
Exact Mass288.25
IUPAC Name5-cyclopentylidene-2-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene
SMILESCC(C)(C)OCCCCCCC1=CC(=C2CCCC2)C=C1
InChIInChI=1S/C20H32O/c1-20(2,3)21-15-9-5-4-6-10-17-13-14-19(16-17)18-11-7-8-12-18/h13-14,16H,4-12,15H2,1-3H3
InChIKeyKTVUUIUJKMQBIM-UHFFFAOYSA-N
XLogP6.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.47
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-cyclopentylidene-2-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene 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 5-cyclopentylidene-2-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene?
The IUPAC name of 5-cyclopentylidene-2-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene (CID 178090513) is 5-cyclopentylidene-2-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene.
What is the SMILES notation for 5-cyclopentylidene-2-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene?
The canonical SMILES for 5-cyclopentylidene-2-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene is CC(C)(C)OCCCCCCC1=CC(=C2CCCC2)C=C1.
What is the InChIKey of 5-cyclopentylidene-2-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene?
The InChIKey is KTVUUIUJKMQBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-20(2,3)21-15-9-5-4-6-10-17-13-14-19(16-17)18-11-7-8-12-18/h13-14,16H,4-12,15H2,1-3H3.
What are the key properties of 5-cyclopentylidene-2-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene?
5-cyclopentylidene-2-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene has a molecular weight of 288.47 g/mol, XLogP of 6.12, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentylidene-2-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene is sourced from PubChem (CID 178090513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).