butyl undec-5-enoate

C15H28O2 — CID 123460322

IUPACbutyl undec-5-enoate
SMILESCCCCCC=CCCCC(=O)OCCCC
InChIInChI=1S/C15H28O2/c1-3-5-7-8-9-10-11-12-13-15(16)17-14-6-4-2/h9-10H,3-8,11-14H2,1-2H3
InChIKeyNTFKJLDAJUQLHF-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.64
Rot. Bonds11

About butyl undec-5-enoate

butyl undec-5-enoate (PubChem CID 123460322) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is butyl undec-5-enoate.

Molecular Properties

Compound Namebutyl undec-5-enoate
PubChem CID123460322
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Namebutyl undec-5-enoate
SMILESCCCCCC=CCCCC(=O)OCCCC
InChIInChI=1S/C15H28O2/c1-3-5-7-8-9-10-11-12-13-15(16)17-14-6-4-2/h9-10H,3-8,11-14H2,1-2H3
InChIKeyNTFKJLDAJUQLHF-UHFFFAOYSA-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

butyl (Z)-docos-13-enoate
CID 6436513
butyl tetradec-6-enoate
CID 123290881
butyl (E)-dec-4-enoate
CID 88959422
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
tetracosyl (Z)-icos-11-enoate
CID 72710761
[(Z)-octadec-9-enyl] hexatriacontanoate
CID 168953377
tetradecyl (Z)-docos-13-enoate
CID 57485367
octacosyl (Z)-tetracos-15-enoate
CID 168953212
[(E)-hexadec-9-enyl] (E)-hexadec-9-enoate
CID 5364639

Frequently Asked Questions

What is the IUPAC name of butyl undec-5-enoate?
The IUPAC name of butyl undec-5-enoate (CID 123460322) is butyl undec-5-enoate.
What is the SMILES notation for butyl undec-5-enoate?
The canonical SMILES for butyl undec-5-enoate is CCCCCC=CCCCC(=O)OCCCC.
What is the InChIKey of butyl undec-5-enoate?
The InChIKey is NTFKJLDAJUQLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-5-7-8-9-10-11-12-13-15(16)17-14-6-4-2/h9-10H,3-8,11-14H2,1-2H3.
What are the key properties of butyl undec-5-enoate?
butyl undec-5-enoate 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 butyl undec-5-enoate is sourced from PubChem (CID 123460322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).