[(E)-undec-2-enyl] 2-acetyloxyacetate

C15H26O4 — CID 5353110

IUPAC[(E)-undec-2-enyl] 2-acetyloxyacetate
SMILESCCCCCCCC/C=C/COC(=O)COC(C)=O
InChIInChI=1S/C15H26O4/c1-3-4-5-6-7-8-9-10-11-12-18-15(17)13-19-14(2)16/h10-11H,3-9,12-13H2,1-2H3/b11-10+
InChIKeyNNRKQKGYPUNGMQ-ZHACJKMWSA-N
MW270.37 g/mol
LogP3.40
Rot. Bonds11

About [(E)-undec-2-enyl] 2-acetyloxyacetate

[(E)-undec-2-enyl] 2-acetyloxyacetate (PubChem CID 5353110) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is [(E)-undec-2-enyl] 2-acetyloxyacetate.

Molecular Properties

Compound Name[(E)-undec-2-enyl] 2-acetyloxyacetate
PubChem CID5353110
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name[(E)-undec-2-enyl] 2-acetyloxyacetate
SMILESCCCCCCCC/C=C/COC(=O)COC(C)=O
InChIInChI=1S/C15H26O4/c1-3-4-5-6-7-8-9-10-11-12-18-15(17)13-19-14(2)16/h10-11H,3-9,12-13H2,1-2H3/b11-10+
InChIKeyNNRKQKGYPUNGMQ-ZHACJKMWSA-N
XLogP3.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.40
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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Related Compounds

2-Nonenyl acetate, (2E)-
CID 6365451
2-Decenyl acetate
CID 86882
2-Undecen-1-ol, 1-acetate
CID 110372
Acetic acid trans-2-decen-1-YL ester
CID 5363207
2-Tridecen-1-ol, 1-acetate
CID 110371
2-Tridecen-1-ol, acetate
CID 6437544
2-Dodecen-1-ol, 1-acetate
CID 170040
2-Undecenyl acetate
CID 5363202
2-Dodecenyl acetate
CID 6441593
Non-2-enyl acetate
CID 121704
(E)-2-Tetradecenyl acetate
CID 14915409
2-Tetradecenyl acetate
CID 536507

Frequently Asked Questions

What is the IUPAC name of [(E)-undec-2-enyl] 2-acetyloxyacetate?
The IUPAC name of [(E)-undec-2-enyl] 2-acetyloxyacetate (CID 5353110) is [(E)-undec-2-enyl] 2-acetyloxyacetate.
What is the SMILES notation for [(E)-undec-2-enyl] 2-acetyloxyacetate?
The canonical SMILES for [(E)-undec-2-enyl] 2-acetyloxyacetate is CCCCCCCC/C=C/COC(=O)COC(C)=O.
What is the InChIKey of [(E)-undec-2-enyl] 2-acetyloxyacetate?
The InChIKey is NNRKQKGYPUNGMQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H26O4/c1-3-4-5-6-7-8-9-10-11-12-18-15(17)13-19-14(2)16/h10-11H,3-9,12-13H2,1-2H3/b11-10+.
What are the key properties of [(E)-undec-2-enyl] 2-acetyloxyacetate?
[(E)-undec-2-enyl] 2-acetyloxyacetate has a molecular weight of 270.37 g/mol, XLogP of 3.40, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-undec-2-enyl] 2-acetyloxyacetate is sourced from PubChem (CID 5353110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).