5-(diethoxymethylidene)cyclopenta-1,3-diene

C10H14O2 — CID 13029001

IUPAC5-(diethoxymethylidene)cyclopenta-1,3-diene
SMILESCCOC(OCC)=C1C=CC=C1
InChIInChI=1S/C10H14O2/c1-3-11-10(12-4-2)9-7-5-6-8-9/h5-8H,3-4H2,1-2H3
InChIKeyFBLDIYWKTBBWGB-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.40
Rot. Bonds4

About 5-(diethoxymethylidene)cyclopenta-1,3-diene

5-(diethoxymethylidene)cyclopenta-1,3-diene (PubChem CID 13029001) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-(diethoxymethylidene)cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(diethoxymethylidene)cyclopenta-1,3-diene
PubChem CID13029001
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name5-(diethoxymethylidene)cyclopenta-1,3-diene
SMILESCCOC(OCC)=C1C=CC=C1
InChIInChI=1S/C10H14O2/c1-3-11-10(12-4-2)9-7-5-6-8-9/h5-8H,3-4H2,1-2H3
InChIKeyFBLDIYWKTBBWGB-UHFFFAOYSA-N
XLogP2.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(diethoxymethylidene)cyclopenta-1,3-diene?
The IUPAC name of 5-(diethoxymethylidene)cyclopenta-1,3-diene (CID 13029001) is 5-(diethoxymethylidene)cyclopenta-1,3-diene.
What is the SMILES notation for 5-(diethoxymethylidene)cyclopenta-1,3-diene?
The canonical SMILES for 5-(diethoxymethylidene)cyclopenta-1,3-diene is CCOC(OCC)=C1C=CC=C1.
What is the InChIKey of 5-(diethoxymethylidene)cyclopenta-1,3-diene?
The InChIKey is FBLDIYWKTBBWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-3-11-10(12-4-2)9-7-5-6-8-9/h5-8H,3-4H2,1-2H3.
What are the key properties of 5-(diethoxymethylidene)cyclopenta-1,3-diene?
5-(diethoxymethylidene)cyclopenta-1,3-diene has a molecular weight of 166.22 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethoxymethylidene)cyclopenta-1,3-diene is sourced from PubChem (CID 13029001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).