(E)-6-ethylundec-4-ene

C13H26 — CID 140796673

IUPAC(E)-6-ethylundec-4-ene
SMILESCCC/C=C/C(CC)CCCCC
InChIInChI=1S/C13H26/c1-4-7-9-11-13(6-3)12-10-8-5-2/h9,11,13H,4-8,10,12H2,1-3H3/b11-9+
InChIKeyQIJSRZVMZOYFNZ-PKNBQFBNSA-N
MW182.35 g/mol
LogP4.95
Rot. Bonds8

About (E)-6-ethylundec-4-ene

(E)-6-ethylundec-4-ene (PubChem CID 140796673) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is (E)-6-ethylundec-4-ene.

Molecular Properties

Compound Name(E)-6-ethylundec-4-ene
PubChem CID140796673
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name(E)-6-ethylundec-4-ene
SMILESCCC/C=C/C(CC)CCCCC
InChIInChI=1S/C13H26/c1-4-7-9-11-13(6-3)12-10-8-5-2/h9,11,13H,4-8,10,12H2,1-3H3/b11-9+
InChIKeyQIJSRZVMZOYFNZ-PKNBQFBNSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.95
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

11-ethylhenicos-9-ene;11-ethyltricos-9-ene;3-methylheptadecane;3-methylhexadecane;3-methylnonadecane;3-methyloctadecane;3-methylpentadecane;3-methyltetradecane;(E)-nonadec-9-ene
CID 158490711
(E)-6-butylhexacos-7-ene
CID 173194372
5-ethylnon-3-ene
CID 91177059
9-ethyl-15,15,15-trimethoxypentadec-7-ene
CID 150535991
6-but-1-enylundecane
CID 91155625
2-methyl-7-(3-methylbutyl)dodec-5-ene
CID 123813369
3-ethyl-1-(3-ethyloctadec-1-enoxy)octadec-1-ene
CID 149436977
3-ethylnon-1-enoxy(trimethyl)silane
CID 71428254
(3R)-3-ethyloct-1-ene
CID 50898077
(2R)-2-[(E,1S)-1-hydroxyhex-2-enyl]decanal
CID 10800967
2-ethylheptadecanal
CID 18629573
7-[(Z)-4-methylpent-1-enyl]tridecane
CID 140612974

Frequently Asked Questions

What is the IUPAC name of (E)-6-ethylundec-4-ene?
The IUPAC name of (E)-6-ethylundec-4-ene (CID 140796673) is (E)-6-ethylundec-4-ene.
What is the SMILES notation for (E)-6-ethylundec-4-ene?
The canonical SMILES for (E)-6-ethylundec-4-ene is CCC/C=C/C(CC)CCCCC.
What is the InChIKey of (E)-6-ethylundec-4-ene?
The InChIKey is QIJSRZVMZOYFNZ-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H26/c1-4-7-9-11-13(6-3)12-10-8-5-2/h9,11,13H,4-8,10,12H2,1-3H3/b11-9+.
What are the key properties of (E)-6-ethylundec-4-ene?
(E)-6-ethylundec-4-ene has a molecular weight of 182.35 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-ethylundec-4-ene is sourced from PubChem (CID 140796673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).