ethyl nona-1,2-dien-4-yl carbonate

C12H20O3 — CID 20765132

IUPACethyl nona-1,2-dien-4-yl carbonate
SMILESC=C=CC(CCCCC)OC(=O)OCC
InChIInChI=1S/C12H20O3/c1-4-7-8-10-11(9-5-2)15-12(13)14-6-3/h9,11H,2,4,6-8,10H2,1,3H3
InChIKeyGKJNCMCSVMQWAO-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.45
Rot. Bonds7

About ethyl nona-1,2-dien-4-yl carbonate

ethyl nona-1,2-dien-4-yl carbonate (PubChem CID 20765132) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is ethyl nona-1,2-dien-4-yl carbonate.

Molecular Properties

Compound Nameethyl nona-1,2-dien-4-yl carbonate
PubChem CID20765132
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Nameethyl nona-1,2-dien-4-yl carbonate
SMILESC=C=CC(CCCCC)OC(=O)OCC
InChIInChI=1S/C12H20O3/c1-4-7-8-10-11(9-5-2)15-12(13)14-6-3/h9,11H,2,4,6-8,10H2,1,3H3
InChIKeyGKJNCMCSVMQWAO-UHFFFAOYSA-N
XLogP3.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl nona-1,2-dien-4-yl carbonate?
The IUPAC name of ethyl nona-1,2-dien-4-yl carbonate (CID 20765132) is ethyl nona-1,2-dien-4-yl carbonate.
What is the SMILES notation for ethyl nona-1,2-dien-4-yl carbonate?
The canonical SMILES for ethyl nona-1,2-dien-4-yl carbonate is C=C=CC(CCCCC)OC(=O)OCC.
What is the InChIKey of ethyl nona-1,2-dien-4-yl carbonate?
The InChIKey is GKJNCMCSVMQWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-4-7-8-10-11(9-5-2)15-12(13)14-6-3/h9,11H,2,4,6-8,10H2,1,3H3.
What are the key properties of ethyl nona-1,2-dien-4-yl carbonate?
ethyl nona-1,2-dien-4-yl carbonate has a molecular weight of 212.29 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl nona-1,2-dien-4-yl carbonate is sourced from PubChem (CID 20765132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).