prop-2-enyl (E)-undec-2-enoate

C14H24O2 — CID 44607767

IUPACprop-2-enyl (E)-undec-2-enoate
SMILESC=CCOC(=O)/C=C/CCCCCCCC
InChIInChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-11-12-14(15)16-13-4-2/h4,11-12H,2-3,5-10,13H2,1H3/b12-11+
InChIKeyFGBQMYYCMUDGJR-VAWYXSNFSA-N
MW224.34 g/mol
LogP4.02
Rot. Bonds10

About prop-2-enyl (E)-undec-2-enoate

prop-2-enyl (E)-undec-2-enoate (PubChem CID 44607767) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is prop-2-enyl (E)-undec-2-enoate.

Molecular Properties

Compound Nameprop-2-enyl (E)-undec-2-enoate
PubChem CID44607767
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Nameprop-2-enyl (E)-undec-2-enoate
SMILESC=CCOC(=O)/C=C/CCCCCCCC
InChIInChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-11-12-14(15)16-13-4-2/h4,11-12H,2-3,5-10,13H2,1H3/b12-11+
InChIKeyFGBQMYYCMUDGJR-VAWYXSNFSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.02
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (E)-undec-2-enoate?
The IUPAC name of prop-2-enyl (E)-undec-2-enoate (CID 44607767) is prop-2-enyl (E)-undec-2-enoate.
What is the SMILES notation for prop-2-enyl (E)-undec-2-enoate?
The canonical SMILES for prop-2-enyl (E)-undec-2-enoate is C=CCOC(=O)/C=C/CCCCCCCC.
What is the InChIKey of prop-2-enyl (E)-undec-2-enoate?
The InChIKey is FGBQMYYCMUDGJR-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-11-12-14(15)16-13-4-2/h4,11-12H,2-3,5-10,13H2,1H3/b12-11+.
What are the key properties of prop-2-enyl (E)-undec-2-enoate?
prop-2-enyl (E)-undec-2-enoate has a molecular weight of 224.34 g/mol, XLogP of 4.02, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (E)-undec-2-enoate is sourced from PubChem (CID 44607767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).