dec-9-enyl 2-but-3-enoxypropanoate

C17H30O3 — CID 18520728

IUPACdec-9-enyl 2-but-3-enoxypropanoate
SMILESC=CCCCCCCCCOC(=O)C(C)OCCC=C
InChIInChI=1S/C17H30O3/c1-4-6-8-9-10-11-12-13-15-20-17(18)16(3)19-14-7-5-2/h4-5,16H,1-2,6-15H2,3H3
InChIKeyDKMAWUVZMYTEKE-UHFFFAOYSA-N
MW282.42 g/mol
LogP4.43
Rot. Bonds14

About dec-9-enyl 2-but-3-enoxypropanoate

dec-9-enyl 2-but-3-enoxypropanoate (PubChem CID 18520728) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is dec-9-enyl 2-but-3-enoxypropanoate.

Molecular Properties

Compound Namedec-9-enyl 2-but-3-enoxypropanoate
PubChem CID18520728
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Namedec-9-enyl 2-but-3-enoxypropanoate
SMILESC=CCCCCCCCCOC(=O)C(C)OCCC=C
InChIInChI=1S/C17H30O3/c1-4-6-8-9-10-11-12-13-15-20-17(18)16(3)19-14-7-5-2/h4-5,16H,1-2,6-15H2,3H3
InChIKeyDKMAWUVZMYTEKE-UHFFFAOYSA-N
XLogP4.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.43
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-but-3-enoxypropanoate?
The IUPAC name of dec-9-enyl 2-but-3-enoxypropanoate (CID 18520728) is dec-9-enyl 2-but-3-enoxypropanoate.
What is the SMILES notation for dec-9-enyl 2-but-3-enoxypropanoate?
The canonical SMILES for dec-9-enyl 2-but-3-enoxypropanoate is C=CCCCCCCCCOC(=O)C(C)OCCC=C.
What is the InChIKey of dec-9-enyl 2-but-3-enoxypropanoate?
The InChIKey is DKMAWUVZMYTEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-4-6-8-9-10-11-12-13-15-20-17(18)16(3)19-14-7-5-2/h4-5,16H,1-2,6-15H2,3H3.
What are the key properties of dec-9-enyl 2-but-3-enoxypropanoate?
dec-9-enyl 2-but-3-enoxypropanoate has a molecular weight of 282.42 g/mol, XLogP of 4.43, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dec-9-enyl 2-but-3-enoxypropanoate is sourced from PubChem (CID 18520728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).