ethyl tridec-2-enoate

C15H28O2 — CID 54010960

IUPACethyl tridec-2-enoate
SMILESCCCCCCCCCCC=CC(=O)OCC
InChIInChI=1S/C15H28O2/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)17-4-2/h13-14H,3-12H2,1-2H3
InChIKeyKSHSBECFKMIOTM-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.64
Rot. Bonds11

About ethyl tridec-2-enoate

ethyl tridec-2-enoate (PubChem CID 54010960) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is ethyl tridec-2-enoate.

Molecular Properties

Compound Nameethyl tridec-2-enoate
PubChem CID54010960
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Nameethyl tridec-2-enoate
SMILESCCCCCCCCCCC=CC(=O)OCC
InChIInChI=1S/C15H28O2/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)17-4-2/h13-14H,3-12H2,1-2H3
InChIKeyKSHSBECFKMIOTM-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-octadec-2-enoate
CID 10913939
ethyl (16Z)-docosa-2,13,16-trienoate
CID 175935939
heptyl icos-2-enoate
CID 91580884
ethyl (2Z)-deca-2,9-dienoate
CID 141142906
butyl icos-2-enoate
CID 91561454
dodecyl octadec-2-enoate
CID 71338613
tetratriacontyl icos-2-enoate
CID 175935411
tetradecyl tetradec-2-enoate
CID 71404583
pentadecyl icos-2-enoate
CID 175935360
ethyl dec-2-enoate;2-ethyldec-2-enoic acid
CID 173052455
ethyl (2E,4E,6E,8E,10E)-tetracosa-2,4,6,8,10-pentaenoate
CID 166789450
1-O-ethyl 4-O-[(E)-undec-2-enyl] (E)-but-2-enedioate
CID 91713017

Frequently Asked Questions

What is the IUPAC name of ethyl tridec-2-enoate?
The IUPAC name of ethyl tridec-2-enoate (CID 54010960) is ethyl tridec-2-enoate.
What is the SMILES notation for ethyl tridec-2-enoate?
The canonical SMILES for ethyl tridec-2-enoate is CCCCCCCCCCC=CC(=O)OCC.
What is the InChIKey of ethyl tridec-2-enoate?
The InChIKey is KSHSBECFKMIOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)17-4-2/h13-14H,3-12H2,1-2H3.
What are the key properties of ethyl tridec-2-enoate?
ethyl tridec-2-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 ethyl tridec-2-enoate is sourced from PubChem (CID 54010960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).