(3E,5E,6Z)-4-ethyl-5-ethylidenenona-1,3,6,8-tetraene

C13H18 — CID 143006429

IUPAC(3E,5E,6Z)-4-ethyl-5-ethylidenenona-1,3,6,8-tetraene
SMILESC=C/C=C\C(=C/C)\C(=C\C=C)CC
InChIInChI=1S/C13H18/c1-5-9-11-13(8-4)12(7-3)10-6-2/h5-6,8-11H,1-2,7H2,3-4H3/b11-9-,12-10+,13-8+
InChIKeyCFCMTLAONNOUAM-BPHYRHAESA-N
MW174.29 g/mol
LogP4.20
Rot. Bonds5

About (3E,5E,6Z)-4-ethyl-5-ethylidenenona-1,3,6,8-tetraene

(3E,5E,6Z)-4-ethyl-5-ethylidenenona-1,3,6,8-tetraene (PubChem CID 143006429) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is (3E,5E,6Z)-4-ethyl-5-ethylidenenona-1,3,6,8-tetraene.

Molecular Properties

Compound Name(3E,5E,6Z)-4-ethyl-5-ethylidenenona-1,3,6,8-tetraene
PubChem CID143006429
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name(3E,5E,6Z)-4-ethyl-5-ethylidenenona-1,3,6,8-tetraene
SMILESC=C/C=C\C(=C/C)\C(=C\C=C)CC
InChIInChI=1S/C13H18/c1-5-9-11-13(8-4)12(7-3)10-6-2/h5-6,8-11H,1-2,7H2,3-4H3/b11-9-,12-10+,13-8+
InChIKeyCFCMTLAONNOUAM-BPHYRHAESA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z,5E,6E,8Z)-6-ethyl-5-ethylidenedeca-1,3,6,8-tetraene
CID 177369316
(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene
CID 142047079
(3Z,5E,6E)-5-ethylidene-6-methylocta-1,3,6-triene
CID 155717462
(3Z)-3-ethylhexa-1,3,5-trien-2-amine
CID 143431961
ethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene
CID 145142585
(2E)-2-ethylpenta-2,4-dienoic acid
CID 118517754
(3Z,5Z)-5-ethylhepta-1,3,5-triene;methane
CID 143680457
ethane;(3Z,5Z)-5-ethyl-4-propylhepta-1,3,5-triene
CID 143333904
(3Z,5E,6E,8Z)-6-ethenyl-5-ethylidenedeca-1,3,6,8-tetraene
CID 142285656
[(1E,3E,5E,6Z)-5-ethylidene-4-propylnona-1,3,6,8-tetraenyl]benzene
CID 142480935
ethane;(2E,4Z)-4-ethyl-N-methylhepta-2,4,6-trien-3-amine
CID 156719624
(2E,5Z)-N-methyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine
CID 143109442

Frequently Asked Questions

What is the IUPAC name of (3E,5E,6Z)-4-ethyl-5-ethylidenenona-1,3,6,8-tetraene?
The IUPAC name of (3E,5E,6Z)-4-ethyl-5-ethylidenenona-1,3,6,8-tetraene (CID 143006429) is (3E,5E,6Z)-4-ethyl-5-ethylidenenona-1,3,6,8-tetraene.
What is the SMILES notation for (3E,5E,6Z)-4-ethyl-5-ethylidenenona-1,3,6,8-tetraene?
The canonical SMILES for (3E,5E,6Z)-4-ethyl-5-ethylidenenona-1,3,6,8-tetraene is C=C/C=C\C(=C/C)\C(=C\C=C)CC.
What is the InChIKey of (3E,5E,6Z)-4-ethyl-5-ethylidenenona-1,3,6,8-tetraene?
The InChIKey is CFCMTLAONNOUAM-BPHYRHAESA-N. The full InChI is InChI=1S/C13H18/c1-5-9-11-13(8-4)12(7-3)10-6-2/h5-6,8-11H,1-2,7H2,3-4H3/b11-9-,12-10+,13-8+.
What are the key properties of (3E,5E,6Z)-4-ethyl-5-ethylidenenona-1,3,6,8-tetraene?
(3E,5E,6Z)-4-ethyl-5-ethylidenenona-1,3,6,8-tetraene has a molecular weight of 174.29 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,6Z)-4-ethyl-5-ethylidenenona-1,3,6,8-tetraene is sourced from PubChem (CID 143006429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).