[(E)-pent-3-enyl] formate

C6H10O2 — CID 14644551

IUPAC[(E)-pent-3-enyl] formate
SMILESC/C=C/CCOC=O
InChIInChI=1S/C6H10O2/c1-2-3-4-5-8-6-7/h2-3,6H,4-5H2,1H3/b3-2+
InChIKeyTYGXIHFXKYDCAD-NSCUHMNNSA-N
MW114.14 g/mol
LogP1.13
Rot. Bonds4

About [(E)-pent-3-enyl] formate

[(E)-pent-3-enyl] formate (PubChem CID 14644551) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is [(E)-pent-3-enyl] formate.

Molecular Properties

Compound Name[(E)-pent-3-enyl] formate
PubChem CID14644551
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name[(E)-pent-3-enyl] formate
SMILESC/C=C/CCOC=O
InChIInChI=1S/C6H10O2/c1-2-3-4-5-8-6-7/h2-3,6H,4-5H2,1H3/b3-2+
InChIKeyTYGXIHFXKYDCAD-NSCUHMNNSA-N
XLogP1.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-pent-3-enyl] formate?
The IUPAC name of [(E)-pent-3-enyl] formate (CID 14644551) is [(E)-pent-3-enyl] formate.
What is the SMILES notation for [(E)-pent-3-enyl] formate?
The canonical SMILES for [(E)-pent-3-enyl] formate is C/C=C/CCOC=O.
What is the InChIKey of [(E)-pent-3-enyl] formate?
The InChIKey is TYGXIHFXKYDCAD-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-3-4-5-8-6-7/h2-3,6H,4-5H2,1H3/b3-2+.
What are the key properties of [(E)-pent-3-enyl] formate?
[(E)-pent-3-enyl] formate has a molecular weight of 114.14 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-pent-3-enyl] formate is sourced from PubChem (CID 14644551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).