undec-10-enyl 2-but-3-enoxypropanoate

C18H32O3 — CID 18520725

IUPACundec-10-enyl 2-but-3-enoxypropanoate
SMILESC=CCCCCCCCCCOC(=O)C(C)OCCC=C
InChIInChI=1S/C18H32O3/c1-4-6-8-9-10-11-12-13-14-16-21-18(19)17(3)20-15-7-5-2/h4-5,17H,1-2,6-16H2,3H3
InChIKeyZSYXTDQVMBJFMX-UHFFFAOYSA-N
MW296.45 g/mol
LogP4.82
Rot. Bonds15

About undec-10-enyl 2-but-3-enoxypropanoate

undec-10-enyl 2-but-3-enoxypropanoate (PubChem CID 18520725) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is undec-10-enyl 2-but-3-enoxypropanoate.

Molecular Properties

Compound Nameundec-10-enyl 2-but-3-enoxypropanoate
PubChem CID18520725
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Nameundec-10-enyl 2-but-3-enoxypropanoate
SMILESC=CCCCCCCCCCOC(=O)C(C)OCCC=C
InChIInChI=1S/C18H32O3/c1-4-6-8-9-10-11-12-13-14-16-21-18(19)17(3)20-15-7-5-2/h4-5,17H,1-2,6-16H2,3H3
InChIKeyZSYXTDQVMBJFMX-UHFFFAOYSA-N
XLogP4.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.82
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 undec-10-enyl 2-but-3-enoxypropanoate?
The IUPAC name of undec-10-enyl 2-but-3-enoxypropanoate (CID 18520725) is undec-10-enyl 2-but-3-enoxypropanoate.
What is the SMILES notation for undec-10-enyl 2-but-3-enoxypropanoate?
The canonical SMILES for undec-10-enyl 2-but-3-enoxypropanoate is C=CCCCCCCCCCOC(=O)C(C)OCCC=C.
What is the InChIKey of undec-10-enyl 2-but-3-enoxypropanoate?
The InChIKey is ZSYXTDQVMBJFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3/c1-4-6-8-9-10-11-12-13-14-16-21-18(19)17(3)20-15-7-5-2/h4-5,17H,1-2,6-16H2,3H3.
What are the key properties of undec-10-enyl 2-but-3-enoxypropanoate?
undec-10-enyl 2-but-3-enoxypropanoate has a molecular weight of 296.45 g/mol, XLogP of 4.82, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for undec-10-enyl 2-but-3-enoxypropanoate is sourced from PubChem (CID 18520725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).