butyl (E)-dec-4-enoate

C14H26O2 — CID 88959422

IUPACbutyl (E)-dec-4-enoate
SMILESCCCCC/C=C/CCC(=O)OCCCC
InChIInChI=1S/C14H26O2/c1-3-5-7-8-9-10-11-12-14(15)16-13-6-4-2/h9-10H,3-8,11-13H2,1-2H3/b10-9+
InChIKeyWHJPGSYKIMDBIF-MDZDMXLPSA-N
MW226.36 g/mol
LogP4.25
Rot. Bonds10

About butyl (E)-dec-4-enoate

butyl (E)-dec-4-enoate (PubChem CID 88959422) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is butyl (E)-dec-4-enoate.

Molecular Properties

Compound Namebutyl (E)-dec-4-enoate
PubChem CID88959422
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Namebutyl (E)-dec-4-enoate
SMILESCCCCC/C=C/CCC(=O)OCCCC
InChIInChI=1S/C14H26O2/c1-3-5-7-8-9-10-11-12-14(15)16-13-6-4-2/h9-10H,3-8,11-13H2,1-2H3/b10-9+
InChIKeyWHJPGSYKIMDBIF-MDZDMXLPSA-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

butyl undec-4-enoate
CID 123192913
butyl undec-5-enoate
CID 123460322
butyl tetradec-6-enoate
CID 123290881
butyl (Z)-docos-13-enoate
CID 6436513
dihexadecyl oct-4-enedioate
CID 173208049
bis[(E)-tridec-5-enyl] butanedioate
CID 101280853
bis[(E)-tridec-6-enyl] butanedioate
CID 101280854
azane;butyl (Z)-octadec-9-enoate;hydrate
CID 175090208
1-O-butyl 10-O-[(Z)-non-3-enyl] decanedioate
CID 91712182
octyl (E)-icos-9-enoate
CID 44611210
octadecyl (Z)-hexadec-9-enoate
CID 5365187
4-[(Z)-octadec-9-enoyl]oxybutyl (Z)-octadec-9-enoate
CID 87250658

Frequently Asked Questions

What is the IUPAC name of butyl (E)-dec-4-enoate?
The IUPAC name of butyl (E)-dec-4-enoate (CID 88959422) is butyl (E)-dec-4-enoate.
What is the SMILES notation for butyl (E)-dec-4-enoate?
The canonical SMILES for butyl (E)-dec-4-enoate is CCCCC/C=C/CCC(=O)OCCCC.
What is the InChIKey of butyl (E)-dec-4-enoate?
The InChIKey is WHJPGSYKIMDBIF-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H26O2/c1-3-5-7-8-9-10-11-12-14(15)16-13-6-4-2/h9-10H,3-8,11-13H2,1-2H3/b10-9+.
What are the key properties of butyl (E)-dec-4-enoate?
butyl (E)-dec-4-enoate 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 butyl (E)-dec-4-enoate is sourced from PubChem (CID 88959422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).