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

C15H28O2 — CID 5353088

IUPAC[(E)-undec-2-enyl] butanoate
SMILESCCCCCCCC/C=C/COC(=O)CCC
InChIInChI=1S/C15H28O2/c1-3-5-6-7-8-9-10-11-12-14-17-15(16)13-4-2/h11-12H,3-10,13-14H2,1-2H3/b12-11+
InChIKeyYKKKIRWPZWWRHL-VAWYXSNFSA-N
MW240.39 g/mol
LogP4.64
Rot. Bonds11

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

[(E)-undec-2-enyl] butanoate (PubChem CID 5353088) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is [(E)-undec-2-enyl] butanoate.

Molecular Properties

Compound Name[(E)-undec-2-enyl] butanoate
PubChem CID5353088
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name[(E)-undec-2-enyl] butanoate
SMILESCCCCCCCC/C=C/COC(=O)CCC
InChIInChI=1S/C15H28O2/c1-3-5-6-7-8-9-10-11-12-14-17-15(16)13-4-2/h11-12H,3-10,13-14H2,1-2H3/b12-11+
InChIKeyYKKKIRWPZWWRHL-VAWYXSNFSA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Geranyl butyrate
CID 5355856
Neryl butyrate
CID 5352162
trans-2-HEXENYL BUTYRATE
CID 5352461
2-Hexenyl propionate, (2E)-
CID 5352463
2-Hexenyl hexanoate, (2E)-
CID 5352973
Ethyl 2-decenoate, (2E)-
CID 5463904
4-Tridecen-1-yl acetate, (4E)-
CID 5365748
pent-2-Enyl hexanoate, (2Z)-
CID 5363141
2-Heptenyl acetate, (2E)-
CID 5363203
2-Hexenyl octanoate, (E)-
CID 5365136
2-Octen-1-yl acetate, (2E)-
CID 5463875
Ethyl 4-decenoate, (4E)-
CID 5362583

Frequently Asked Questions

What is the IUPAC name of [(E)-undec-2-enyl] butanoate?
The IUPAC name of [(E)-undec-2-enyl] butanoate (CID 5353088) is [(E)-undec-2-enyl] butanoate.
What is the SMILES notation for [(E)-undec-2-enyl] butanoate?
The canonical SMILES for [(E)-undec-2-enyl] butanoate is CCCCCCCC/C=C/COC(=O)CCC.
What is the InChIKey of [(E)-undec-2-enyl] butanoate?
The InChIKey is YKKKIRWPZWWRHL-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-5-6-7-8-9-10-11-12-14-17-15(16)13-4-2/h11-12H,3-10,13-14H2,1-2H3/b12-11+.
What are the key properties of [(E)-undec-2-enyl] butanoate?
[(E)-undec-2-enyl] butanoate has a molecular weight of 240.39 g/mol, XLogP of 4.64, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-undec-2-enyl] butanoate is sourced from PubChem (CID 5353088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).