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

C14H26O2 — CID 91749795

IUPAC[(E)-dec-2-enyl] butanoate
SMILESCCCCCCC/C=C/COC(=O)CCC
InChIInChI=1S/C14H26O2/c1-3-5-6-7-8-9-10-11-13-16-14(15)12-4-2/h10-11H,3-9,12-13H2,1-2H3/b11-10+
InChIKeyJVMYWBOEBMIFHM-ZHACJKMWSA-N
MW226.36 g/mol
LogP4.25
Rot. Bonds10

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

[(E)-dec-2-enyl] butanoate (PubChem CID 91749795) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is [(E)-dec-2-enyl] butanoate.

Molecular Properties

Compound Name[(E)-dec-2-enyl] butanoate
PubChem CID91749795
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name[(E)-dec-2-enyl] butanoate
SMILESCCCCCCC/C=C/COC(=O)CCC
InChIInChI=1S/C14H26O2/c1-3-5-6-7-8-9-10-11-13-16-14(15)12-4-2/h10-11H,3-9,12-13H2,1-2H3/b11-10+
InChIKeyJVMYWBOEBMIFHM-ZHACJKMWSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.25
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

bis[(E)-pentadec-2-enyl] butanedioate
CID 87799324
oct-2-enyl hexadecanoate
CID 154498237
[(Z)-4-[(E)-octadec-9-enoyl]oxybut-2-enyl] (Z)-octadec-9-enoate
CID 5355450
[(Z)-non-2-enyl] decanoate
CID 88564768
1-O-[(E)-dec-4-enyl] 4-O-[(E)-dodec-2-enyl] butanedioate
CID 91715869
[(E)-non-2-enyl] 4-bromobutanoate
CID 156692547
4-octadec-2-enoxy-4-oxobutanoic acid
CID 54223186
7-[(Z)-non-2-enoxy]-7-oxoheptanoic acid
CID 155235780
[(Z)-non-2-enyl] octanoate;octanoic acid
CID 175155639
[(E)-hex-2-enyl] hexacosanoate
CID 102118773
[(Z)-non-2-enyl] 5-methoxypentanoate
CID 153434938
[(Z)-non-3-enyl] butanoate
CID 175318305

Frequently Asked Questions

What is the IUPAC name of [(E)-dec-2-enyl] butanoate?
The IUPAC name of [(E)-dec-2-enyl] butanoate (CID 91749795) is [(E)-dec-2-enyl] butanoate.
What is the SMILES notation for [(E)-dec-2-enyl] butanoate?
The canonical SMILES for [(E)-dec-2-enyl] butanoate is CCCCCCC/C=C/COC(=O)CCC.
What is the InChIKey of [(E)-dec-2-enyl] butanoate?
The InChIKey is JVMYWBOEBMIFHM-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H26O2/c1-3-5-6-7-8-9-10-11-13-16-14(15)12-4-2/h10-11H,3-9,12-13H2,1-2H3/b11-10+.
What are the key properties of [(E)-dec-2-enyl] butanoate?
[(E)-dec-2-enyl] butanoate has a molecular weight of 226.36 g/mol, XLogP of 4.25, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-dec-2-enyl] butanoate is sourced from PubChem (CID 91749795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).