ethyl docos-2-enoate

C24H46O2 — CID 71344663

IUPACethyl docos-2-enoate
SMILESCCCCCCCCCCCCCCCCCCCC=CC(=O)OCC
InChIInChI=1S/C24H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h22-23H,3-21H2,1-2H3
InChIKeyUJXYWILBUUVRDS-UHFFFAOYSA-N
MW366.63 g/mol
LogP8.15
Rot. Bonds20

About ethyl docos-2-enoate

ethyl docos-2-enoate (PubChem CID 71344663) has the molecular formula C24H46O2 and a molecular weight of 366.63 g/mol. Its IUPAC name is ethyl docos-2-enoate.

Molecular Properties

Compound Nameethyl docos-2-enoate
PubChem CID71344663
Molecular FormulaC24H46O2
Molecular Weight366.63 g/mol
Exact Mass366.35
IUPAC Nameethyl docos-2-enoate
SMILESCCCCCCCCCCCCCCCCCCCC=CC(=O)OCC
InChIInChI=1S/C24H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h22-23H,3-21H2,1-2H3
InChIKeyUJXYWILBUUVRDS-UHFFFAOYSA-N
XLogP8.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 58.15
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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Frequently Asked Questions

What is the IUPAC name of ethyl docos-2-enoate?
The IUPAC name of ethyl docos-2-enoate (CID 71344663) is ethyl docos-2-enoate.
What is the SMILES notation for ethyl docos-2-enoate?
The canonical SMILES for ethyl docos-2-enoate is CCCCCCCCCCCCCCCCCCCC=CC(=O)OCC.
What is the InChIKey of ethyl docos-2-enoate?
The InChIKey is UJXYWILBUUVRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h22-23H,3-21H2,1-2H3.
What are the key properties of ethyl docos-2-enoate?
ethyl docos-2-enoate has a molecular weight of 366.63 g/mol, XLogP of 8.15, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl docos-2-enoate is sourced from PubChem (CID 71344663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).