2-undec-10-enoyloxypropyl undec-10-enoate

C25H44O4 — CID 21434284

IUPAC2-undec-10-enoyloxypropyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCC=C
InChIInChI=1S/C25H44O4/c1-4-6-8-10-12-14-16-18-20-24(26)28-22-23(3)29-25(27)21-19-17-15-13-11-9-7-5-2/h4-5,23H,1-2,6-22H2,3H3
InChIKeyXBZGFWFIYQMHRL-UHFFFAOYSA-N
MW408.62 g/mol
LogP7.07
Rot. Bonds21

About 2-undec-10-enoyloxypropyl undec-10-enoate

2-undec-10-enoyloxypropyl undec-10-enoate (PubChem CID 21434284) has the molecular formula C25H44O4 and a molecular weight of 408.62 g/mol. Its IUPAC name is 2-undec-10-enoyloxypropyl undec-10-enoate.

Molecular Properties

Compound Name2-undec-10-enoyloxypropyl undec-10-enoate
PubChem CID21434284
Molecular FormulaC25H44O4
Molecular Weight408.62 g/mol
Exact Mass408.32
IUPAC Name2-undec-10-enoyloxypropyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCC=C
InChIInChI=1S/C25H44O4/c1-4-6-8-10-12-14-16-18-20-24(26)28-22-23(3)29-25(27)21-19-17-15-13-11-9-7-5-2/h4-5,23H,1-2,6-22H2,3H3
InChIKeyXBZGFWFIYQMHRL-UHFFFAOYSA-N
XLogP7.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.62
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-undec-10-enoyloxypropyl undec-10-enoate?
The IUPAC name of 2-undec-10-enoyloxypropyl undec-10-enoate (CID 21434284) is 2-undec-10-enoyloxypropyl undec-10-enoate.
What is the SMILES notation for 2-undec-10-enoyloxypropyl undec-10-enoate?
The canonical SMILES for 2-undec-10-enoyloxypropyl undec-10-enoate is C=CCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCC=C.
What is the InChIKey of 2-undec-10-enoyloxypropyl undec-10-enoate?
The InChIKey is XBZGFWFIYQMHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44O4/c1-4-6-8-10-12-14-16-18-20-24(26)28-22-23(3)29-25(27)21-19-17-15-13-11-9-7-5-2/h4-5,23H,1-2,6-22H2,3H3.
What are the key properties of 2-undec-10-enoyloxypropyl undec-10-enoate?
2-undec-10-enoyloxypropyl undec-10-enoate has a molecular weight of 408.62 g/mol, XLogP of 7.07, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undec-10-enoyloxypropyl undec-10-enoate is sourced from PubChem (CID 21434284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).