ethyl [(Z)-hex-3-enyl] carbonate

C9H16O3 — CID 11745090

IUPACethyl [(Z)-hex-3-enyl] carbonate
SMILESCC/C=C\CCOC(=O)OCC
InChIInChI=1S/C9H16O3/c1-3-5-6-7-8-12-9(10)11-4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5-
InChIKeyQVGDVJSCRGIGEX-WAYWQWQTSA-N
MW172.22 g/mol
LogP2.52
Rot. Bonds5

About ethyl [(Z)-hex-3-enyl] carbonate

ethyl [(Z)-hex-3-enyl] carbonate (PubChem CID 11745090) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is ethyl [(Z)-hex-3-enyl] carbonate.

Molecular Properties

Compound Nameethyl [(Z)-hex-3-enyl] carbonate
PubChem CID11745090
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Nameethyl [(Z)-hex-3-enyl] carbonate
SMILESCC/C=C\CCOC(=O)OCC
InChIInChI=1S/C9H16O3/c1-3-5-6-7-8-12-9(10)11-4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5-
InChIKeyQVGDVJSCRGIGEX-WAYWQWQTSA-N
XLogP2.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 ethyl [(Z)-hex-3-enyl] carbonate?
The IUPAC name of ethyl [(Z)-hex-3-enyl] carbonate (CID 11745090) is ethyl [(Z)-hex-3-enyl] carbonate.
What is the SMILES notation for ethyl [(Z)-hex-3-enyl] carbonate?
The canonical SMILES for ethyl [(Z)-hex-3-enyl] carbonate is CC/C=C\CCOC(=O)OCC.
What is the InChIKey of ethyl [(Z)-hex-3-enyl] carbonate?
The InChIKey is QVGDVJSCRGIGEX-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-5-6-7-8-12-9(10)11-4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5-.
What are the key properties of ethyl [(Z)-hex-3-enyl] carbonate?
ethyl [(Z)-hex-3-enyl] carbonate has a molecular weight of 172.22 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [(Z)-hex-3-enyl] carbonate is sourced from PubChem (CID 11745090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).