(E)-19-ethylhexacos-12-ene

C28H56 — CID 173194168

IUPAC(E)-19-ethylhexacos-12-ene
SMILESCCCCCCCCCCC/C=C/CCCCCC(CC)CCCCCCC
InChIInChI=1S/C28H56/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-21-23-25-27-28(6-3)26-24-22-10-8-5-2/h18-19,28H,4-17,20-27H2,1-3H3/b19-18+
InChIKeyJUMFAAHZNSUNIH-VHEBQXMUSA-N
MW392.76 g/mol
LogP10.80
Rot. Bonds23

About (E)-19-ethylhexacos-12-ene

(E)-19-ethylhexacos-12-ene (PubChem CID 173194168) has the molecular formula C28H56 and a molecular weight of 392.76 g/mol. Its IUPAC name is (E)-19-ethylhexacos-12-ene.

Molecular Properties

Compound Name(E)-19-ethylhexacos-12-ene
PubChem CID173194168
Molecular FormulaC28H56
Molecular Weight392.76 g/mol
Exact Mass392.44
IUPAC Name(E)-19-ethylhexacos-12-ene
SMILESCCCCCCCCCCC/C=C/CCCCCC(CC)CCCCCCC
InChIInChI=1S/C28H56/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-21-23-25-27-28(6-3)26-24-22-10-8-5-2/h18-19,28H,4-17,20-27H2,1-3H3/b19-18+
InChIKeyJUMFAAHZNSUNIH-VHEBQXMUSA-N
XLogP10.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.76
LogP ≤ 510.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

16-ethylhenicos-6-ene
CID 173194293
(E)-14-ethylnonadec-7-ene
CID 173194393
16-ethyldocos-10-ene
CID 91389222
(E)-5,22-diethylhexacos-11-ene
CID 173194569
15,19-diethyltetracos-2-ene
CID 173194589
11-ethyltetradec-4-ene
CID 123216279
(9Z,12Z)-19-ethyltetracosa-9,12-dienal
CID 173398960
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
3-octadec-9-enylpentane-1,5-diol
CID 91381537
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557

Frequently Asked Questions

What is the IUPAC name of (E)-19-ethylhexacos-12-ene?
The IUPAC name of (E)-19-ethylhexacos-12-ene (CID 173194168) is (E)-19-ethylhexacos-12-ene.
What is the SMILES notation for (E)-19-ethylhexacos-12-ene?
The canonical SMILES for (E)-19-ethylhexacos-12-ene is CCCCCCCCCCC/C=C/CCCCCC(CC)CCCCCCC.
What is the InChIKey of (E)-19-ethylhexacos-12-ene?
The InChIKey is JUMFAAHZNSUNIH-VHEBQXMUSA-N. The full InChI is InChI=1S/C28H56/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-21-23-25-27-28(6-3)26-24-22-10-8-5-2/h18-19,28H,4-17,20-27H2,1-3H3/b19-18+.
What are the key properties of (E)-19-ethylhexacos-12-ene?
(E)-19-ethylhexacos-12-ene has a molecular weight of 392.76 g/mol, XLogP of 10.80, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-19-ethylhexacos-12-ene is sourced from PubChem (CID 173194168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).