[(Z)-hex-2-enyl] formate

C7H12O2 — CID 21159477

IUPAC[(Z)-hex-2-enyl] formate
SMILESCCC/C=C\COC=O
InChIInChI=1S/C7H12O2/c1-2-3-4-5-6-9-7-8/h4-5,7H,2-3,6H2,1H3/b5-4-
InChIKeySLWYMCAVYPZTRN-PLNGDYQASA-N
MW128.17 g/mol
LogP1.52
Rot. Bonds5

About [(Z)-hex-2-enyl] formate

[(Z)-hex-2-enyl] formate (PubChem CID 21159477) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is [(Z)-hex-2-enyl] formate.

Molecular Properties

Compound Name[(Z)-hex-2-enyl] formate
PubChem CID21159477
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name[(Z)-hex-2-enyl] formate
SMILESCCC/C=C\COC=O
InChIInChI=1S/C7H12O2/c1-2-3-4-5-6-9-7-8/h4-5,7H,2-3,6H2,1H3/b5-4-
InChIKeySLWYMCAVYPZTRN-PLNGDYQASA-N
XLogP1.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.52
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 [(Z)-hex-2-enyl] formate?
The IUPAC name of [(Z)-hex-2-enyl] formate (CID 21159477) is [(Z)-hex-2-enyl] formate.
What is the SMILES notation for [(Z)-hex-2-enyl] formate?
The canonical SMILES for [(Z)-hex-2-enyl] formate is CCC/C=C\COC=O.
What is the InChIKey of [(Z)-hex-2-enyl] formate?
The InChIKey is SLWYMCAVYPZTRN-PLNGDYQASA-N. The full InChI is InChI=1S/C7H12O2/c1-2-3-4-5-6-9-7-8/h4-5,7H,2-3,6H2,1H3/b5-4-.
What are the key properties of [(Z)-hex-2-enyl] formate?
[(Z)-hex-2-enyl] formate has a molecular weight of 128.17 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hex-2-enyl] formate is sourced from PubChem (CID 21159477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).