ethyl formate;propa-1,2-diene

C6H10O2 — CID 174771655

IUPACethyl formate;propa-1,2-diene
SMILESC=C=C.CCOC=O
InChIInChI=1S/C3H6O2.C3H4/c1-2-5-3-4;1-3-2/h3H,2H2,1H3;1-2H2
InChIKeyUYLDRJXVDBSPNI-UHFFFAOYSA-N
MW114.14 g/mol
LogP1.14
Rot. Bonds2

About ethyl formate;propa-1,2-diene

ethyl formate;propa-1,2-diene (PubChem CID 174771655) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is ethyl formate;propa-1,2-diene.

Molecular Properties

Compound Nameethyl formate;propa-1,2-diene
PubChem CID174771655
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Nameethyl formate;propa-1,2-diene
SMILESC=C=C.CCOC=O
InChIInChI=1S/C3H6O2.C3H4/c1-2-5-3-4;1-3-2/h3H,2H2,1H3;1-2H2
InChIKeyUYLDRJXVDBSPNI-UHFFFAOYSA-N
XLogP1.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl formate;propa-1,2-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 ethyl formate;propa-1,2-diene?
The IUPAC name of ethyl formate;propa-1,2-diene (CID 174771655) is ethyl formate;propa-1,2-diene.
What is the SMILES notation for ethyl formate;propa-1,2-diene?
The canonical SMILES for ethyl formate;propa-1,2-diene is C=C=C.CCOC=O.
What is the InChIKey of ethyl formate;propa-1,2-diene?
The InChIKey is UYLDRJXVDBSPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.C3H4/c1-2-5-3-4;1-3-2/h3H,2H2,1H3;1-2H2.
What are the key properties of ethyl formate;propa-1,2-diene?
ethyl formate;propa-1,2-diene has a molecular weight of 114.14 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;propa-1,2-diene is sourced from PubChem (CID 174771655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).