[(E)-hex-4-en-2-yl] formate

C7H12O2 — CID 14644553

IUPAC[(E)-hex-4-en-2-yl] formate
SMILESC/C=C/CC(C)OC=O
InChIInChI=1S/C7H12O2/c1-3-4-5-7(2)9-6-8/h3-4,6-7H,5H2,1-2H3/b4-3+
InChIKeyORLACDIMPXLYHN-ONEGZZNKSA-N
MW128.17 g/mol
LogP1.51
Rot. Bonds4

About [(E)-hex-4-en-2-yl] formate

[(E)-hex-4-en-2-yl] formate (PubChem CID 14644553) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is [(E)-hex-4-en-2-yl] formate.

Molecular Properties

Compound Name[(E)-hex-4-en-2-yl] formate
PubChem CID14644553
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name[(E)-hex-4-en-2-yl] formate
SMILESC/C=C/CC(C)OC=O
InChIInChI=1S/C7H12O2/c1-3-4-5-7(2)9-6-8/h3-4,6-7H,5H2,1-2H3/b4-3+
InChIKeyORLACDIMPXLYHN-ONEGZZNKSA-N
XLogP1.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-hex-4-en-2-yl] formate?
The IUPAC name of [(E)-hex-4-en-2-yl] formate (CID 14644553) is [(E)-hex-4-en-2-yl] formate.
What is the SMILES notation for [(E)-hex-4-en-2-yl] formate?
The canonical SMILES for [(E)-hex-4-en-2-yl] formate is C/C=C/CC(C)OC=O.
What is the InChIKey of [(E)-hex-4-en-2-yl] formate?
The InChIKey is ORLACDIMPXLYHN-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-4-5-7(2)9-6-8/h3-4,6-7H,5H2,1-2H3/b4-3+.
What are the key properties of [(E)-hex-4-en-2-yl] formate?
[(E)-hex-4-en-2-yl] formate has a molecular weight of 128.17 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-4-en-2-yl] formate is sourced from PubChem (CID 14644553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).