2-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-hexyl-4-methyl-1,3-dioxetane

C15H22O2 — CID 70612968

IUPAC2-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-hexyl-4-methyl-1,3-dioxetane
SMILESCCCCCCC1(C=C2C=CC=C2)OC(C)O1
InChIInChI=1S/C15H22O2/c1-3-4-5-8-11-15(16-13(2)17-15)12-14-9-6-7-10-14/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3
InChIKeyOFMYNBNBVDPYLM-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.10
Rot. Bonds6

About 2-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-hexyl-4-methyl-1,3-dioxetane

2-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-hexyl-4-methyl-1,3-dioxetane (PubChem CID 70612968) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-hexyl-4-methyl-1,3-dioxetane.

Molecular Properties

Compound Name2-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-hexyl-4-methyl-1,3-dioxetane
PubChem CID70612968
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-hexyl-4-methyl-1,3-dioxetane
SMILESCCCCCCC1(C=C2C=CC=C2)OC(C)O1
InChIInChI=1S/C15H22O2/c1-3-4-5-8-11-15(16-13(2)17-15)12-14-9-6-7-10-14/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3
InChIKeyOFMYNBNBVDPYLM-UHFFFAOYSA-N
XLogP4.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-hexyl-4-methyl-1,3-dioxetane 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 2-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-hexyl-4-methyl-1,3-dioxetane?
The IUPAC name of 2-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-hexyl-4-methyl-1,3-dioxetane (CID 70612968) is 2-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-hexyl-4-methyl-1,3-dioxetane.
What is the SMILES notation for 2-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-hexyl-4-methyl-1,3-dioxetane?
The canonical SMILES for 2-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-hexyl-4-methyl-1,3-dioxetane is CCCCCCC1(C=C2C=CC=C2)OC(C)O1.
What is the InChIKey of 2-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-hexyl-4-methyl-1,3-dioxetane?
The InChIKey is OFMYNBNBVDPYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-3-4-5-8-11-15(16-13(2)17-15)12-14-9-6-7-10-14/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3.
What are the key properties of 2-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-hexyl-4-methyl-1,3-dioxetane?
2-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-hexyl-4-methyl-1,3-dioxetane has a molecular weight of 234.34 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-hexyl-4-methyl-1,3-dioxetane is sourced from PubChem (CID 70612968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).