(E)-5,22-diethylhexacos-11-ene

C30H60 — CID 173194569

IUPAC(E)-5,22-diethylhexacos-11-ene
SMILESCCCCC(CC)CCCCC/C=C/CCCCCCCCCC(CC)CCCC
InChIInChI=1S/C30H60/c1-5-9-25-29(7-3)27-23-21-19-17-15-13-11-12-14-16-18-20-22-24-28-30(8-4)26-10-6-2/h13,15,29-30H,5-12,14,16-28H2,1-4H3/b15-13+
InChIKeyCRXLOXMZOSUJJB-FYWRMAATSA-N
MW420.81 g/mol
LogP11.44
Rot. Bonds24

About (E)-5,22-diethylhexacos-11-ene

(E)-5,22-diethylhexacos-11-ene (PubChem CID 173194569) has the molecular formula C30H60 and a molecular weight of 420.81 g/mol. Its IUPAC name is (E)-5,22-diethylhexacos-11-ene.

Molecular Properties

Compound Name(E)-5,22-diethylhexacos-11-ene
PubChem CID173194569
Molecular FormulaC30H60
Molecular Weight420.81 g/mol
Exact Mass420.47
IUPAC Name(E)-5,22-diethylhexacos-11-ene
SMILESCCCCC(CC)CCCCC/C=C/CCCCCCCCCC(CC)CCCC
InChIInChI=1S/C30H60/c1-5-9-25-29(7-3)27-23-21-19-17-15-13-11-12-14-16-18-20-22-24-28-30(8-4)26-10-6-2/h13,15,29-30H,5-12,14,16-28H2,1-4H3/b15-13+
InChIKeyCRXLOXMZOSUJJB-FYWRMAATSA-N
XLogP11.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.81
LogP ≤ 511.44
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
(E)-19-ethylhexacos-12-ene
CID 173194168
16-ethyldocos-10-ene
CID 91389222
11-ethyltetradec-4-ene
CID 123216279
15,19-diethyltetracos-2-ene
CID 173194589
(9Z,12Z)-19-ethyltetracosa-9,12-dienal
CID 173398960
3-octadec-9-enylpentane-1,5-diol
CID 91381537
8-ethyldodec-5-ene
CID 173018114
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
12-ethylhentriacontane
CID 91805956

Frequently Asked Questions

What is the IUPAC name of (E)-5,22-diethylhexacos-11-ene?
The IUPAC name of (E)-5,22-diethylhexacos-11-ene (CID 173194569) is (E)-5,22-diethylhexacos-11-ene.
What is the SMILES notation for (E)-5,22-diethylhexacos-11-ene?
The canonical SMILES for (E)-5,22-diethylhexacos-11-ene is CCCCC(CC)CCCCC/C=C/CCCCCCCCCC(CC)CCCC.
What is the InChIKey of (E)-5,22-diethylhexacos-11-ene?
The InChIKey is CRXLOXMZOSUJJB-FYWRMAATSA-N. The full InChI is InChI=1S/C30H60/c1-5-9-25-29(7-3)27-23-21-19-17-15-13-11-12-14-16-18-20-22-24-28-30(8-4)26-10-6-2/h13,15,29-30H,5-12,14,16-28H2,1-4H3/b15-13+.
What are the key properties of (E)-5,22-diethylhexacos-11-ene?
(E)-5,22-diethylhexacos-11-ene has a molecular weight of 420.81 g/mol, XLogP of 11.44, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,22-diethylhexacos-11-ene is sourced from PubChem (CID 173194569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).