[(Z)-dec-4-enyl] ethyl carbonate

C13H24O3 — CID 91694511

IUPAC[(Z)-dec-4-enyl] ethyl carbonate
SMILESCCCCC/C=C\CCCOC(=O)OCC
InChIInChI=1S/C13H24O3/c1-3-5-6-7-8-9-10-11-12-16-13(14)15-4-2/h8-9H,3-7,10-12H2,1-2H3/b9-8-
InChIKeyGKCPRHJKDWFHID-HJWRWDBZSA-N
MW228.33 g/mol
LogP4.08
Rot. Bonds9

About [(Z)-dec-4-enyl] ethyl carbonate

[(Z)-dec-4-enyl] ethyl carbonate (PubChem CID 91694511) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is [(Z)-dec-4-enyl] ethyl carbonate.

Molecular Properties

Compound Name[(Z)-dec-4-enyl] ethyl carbonate
PubChem CID91694511
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name[(Z)-dec-4-enyl] ethyl carbonate
SMILESCCCCC/C=C\CCCOC(=O)OCC
InChIInChI=1S/C13H24O3/c1-3-5-6-7-8-9-10-11-12-16-13(14)15-4-2/h8-9H,3-7,10-12H2,1-2H3/b9-8-
InChIKeyGKCPRHJKDWFHID-HJWRWDBZSA-N
XLogP4.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 54.08
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 [(Z)-dec-4-enyl] ethyl carbonate?
The IUPAC name of [(Z)-dec-4-enyl] ethyl carbonate (CID 91694511) is [(Z)-dec-4-enyl] ethyl carbonate.
What is the SMILES notation for [(Z)-dec-4-enyl] ethyl carbonate?
The canonical SMILES for [(Z)-dec-4-enyl] ethyl carbonate is CCCCC/C=C\CCCOC(=O)OCC.
What is the InChIKey of [(Z)-dec-4-enyl] ethyl carbonate?
The InChIKey is GKCPRHJKDWFHID-HJWRWDBZSA-N. The full InChI is InChI=1S/C13H24O3/c1-3-5-6-7-8-9-10-11-12-16-13(14)15-4-2/h8-9H,3-7,10-12H2,1-2H3/b9-8-.
What are the key properties of [(Z)-dec-4-enyl] ethyl carbonate?
[(Z)-dec-4-enyl] ethyl carbonate has a molecular weight of 228.33 g/mol, XLogP of 4.08, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-dec-4-enyl] ethyl carbonate is sourced from PubChem (CID 91694511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).