dec-9-enyl 2-prop-2-enoxypropanoate

C16H28O3 — CID 11288647

IUPACdec-9-enyl 2-prop-2-enoxypropanoate
SMILESC=CCCCCCCCCOC(=O)C(C)OCC=C
InChIInChI=1S/C16H28O3/c1-4-6-7-8-9-10-11-12-14-19-16(17)15(3)18-13-5-2/h4-5,15H,1-2,6-14H2,3H3
InChIKeyCICHMTBBGXOQCW-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.04
Rot. Bonds13

About dec-9-enyl 2-prop-2-enoxypropanoate

dec-9-enyl 2-prop-2-enoxypropanoate (PubChem CID 11288647) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is dec-9-enyl 2-prop-2-enoxypropanoate.

Molecular Properties

Compound Namedec-9-enyl 2-prop-2-enoxypropanoate
PubChem CID11288647
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Namedec-9-enyl 2-prop-2-enoxypropanoate
SMILESC=CCCCCCCCCOC(=O)C(C)OCC=C
InChIInChI=1S/C16H28O3/c1-4-6-7-8-9-10-11-12-14-19-16(17)15(3)18-13-5-2/h4-5,15H,1-2,6-14H2,3H3
InChIKeyCICHMTBBGXOQCW-UHFFFAOYSA-N
XLogP4.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.04
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 dec-9-enyl 2-prop-2-enoxypropanoate?
The IUPAC name of dec-9-enyl 2-prop-2-enoxypropanoate (CID 11288647) is dec-9-enyl 2-prop-2-enoxypropanoate.
What is the SMILES notation for dec-9-enyl 2-prop-2-enoxypropanoate?
The canonical SMILES for dec-9-enyl 2-prop-2-enoxypropanoate is C=CCCCCCCCCOC(=O)C(C)OCC=C.
What is the InChIKey of dec-9-enyl 2-prop-2-enoxypropanoate?
The InChIKey is CICHMTBBGXOQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c1-4-6-7-8-9-10-11-12-14-19-16(17)15(3)18-13-5-2/h4-5,15H,1-2,6-14H2,3H3.
What are the key properties of dec-9-enyl 2-prop-2-enoxypropanoate?
dec-9-enyl 2-prop-2-enoxypropanoate has a molecular weight of 268.40 g/mol, XLogP of 4.04, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dec-9-enyl 2-prop-2-enoxypropanoate is sourced from PubChem (CID 11288647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).