propyl 2-ethyldodec-2-enoate

C17H32O2 — CID 175495341

IUPACpropyl 2-ethyldodec-2-enoate
SMILESCCCCCCCCCC=C(CC)C(=O)OCCC
InChIInChI=1S/C17H32O2/c1-4-7-8-9-10-11-12-13-14-16(6-3)17(18)19-15-5-2/h14H,4-13,15H2,1-3H3
InChIKeyKZEQDAGIXMJYHO-UHFFFAOYSA-N
MW268.44 g/mol
LogP5.42
Rot. Bonds12

About propyl 2-ethyldodec-2-enoate

propyl 2-ethyldodec-2-enoate (PubChem CID 175495341) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is propyl 2-ethyldodec-2-enoate.

Molecular Properties

Compound Namepropyl 2-ethyldodec-2-enoate
PubChem CID175495341
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Namepropyl 2-ethyldodec-2-enoate
SMILESCCCCCCCCCC=C(CC)C(=O)OCCC
InChIInChI=1S/C17H32O2/c1-4-7-8-9-10-11-12-13-14-16(6-3)17(18)19-15-5-2/h14H,4-13,15H2,1-3H3
InChIKeyKZEQDAGIXMJYHO-UHFFFAOYSA-N
XLogP5.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.42
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

2-methylprop-2-enoic acid;propyl 2-ethyldodec-2-enoate
CID 175495340
4-methylpentyl 2-ethyloct-2-enoate
CID 175129437
propyl 2-methyltridec-2-enoate
CID 174821186
methyl (E)-2-ethyldec-2-enoate
CID 25232141
octyl 2-butylpentadec-2-enoate
CID 57047688
heptyl 2-ethylpent-2-enoate
CID 175495324
dodecyl 2-pentylidenedecanoate
CID 173439479
decyl (E)-2-ethylbut-2-enoate
CID 164546681
dodecyl 2-methylhenicos-2-enoate
CID 57172953
heptyl 2-methylundec-2-enoate
CID 174231744
icosyl 2-methyltricos-2-enoate
CID 90881383
heptyl 2-methylhexadec-2-enoate
CID 174820936

Frequently Asked Questions

What is the IUPAC name of propyl 2-ethyldodec-2-enoate?
The IUPAC name of propyl 2-ethyldodec-2-enoate (CID 175495341) is propyl 2-ethyldodec-2-enoate.
What is the SMILES notation for propyl 2-ethyldodec-2-enoate?
The canonical SMILES for propyl 2-ethyldodec-2-enoate is CCCCCCCCCC=C(CC)C(=O)OCCC.
What is the InChIKey of propyl 2-ethyldodec-2-enoate?
The InChIKey is KZEQDAGIXMJYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-4-7-8-9-10-11-12-13-14-16(6-3)17(18)19-15-5-2/h14H,4-13,15H2,1-3H3.
What are the key properties of propyl 2-ethyldodec-2-enoate?
propyl 2-ethyldodec-2-enoate has a molecular weight of 268.44 g/mol, XLogP of 5.42, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-ethyldodec-2-enoate is sourced from PubChem (CID 175495341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).