ethane;(3Z,5E)-5-ethyl-6-methylnona-1,3,5-triene

C18H38 — CID 144652026

IUPACethane;(3Z,5E)-5-ethyl-6-methylnona-1,3,5-triene
SMILESC=C/C=C\C(CC)=C(/C)CCC.CC.CC.CC
InChIInChI=1S/C12H20.3C2H6/c1-5-8-10-12(7-3)11(4)9-6-2;3*1-2/h5,8,10H,1,6-7,9H2,2-4H3;3*1-2H3/b10-8-,12-11+;;;
InChIKeyZCCVODYHRLTVHL-HVOGBEABSA-N
MW254.50 g/mol
LogP7.33
Rot. Bonds5

About ethane;(3Z,5E)-5-ethyl-6-methylnona-1,3,5-triene

ethane;(3Z,5E)-5-ethyl-6-methylnona-1,3,5-triene (PubChem CID 144652026) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is ethane;(3Z,5E)-5-ethyl-6-methylnona-1,3,5-triene.

Molecular Properties

Compound Nameethane;(3Z,5E)-5-ethyl-6-methylnona-1,3,5-triene
PubChem CID144652026
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Nameethane;(3Z,5E)-5-ethyl-6-methylnona-1,3,5-triene
SMILESC=C/C=C\C(CC)=C(/C)CCC.CC.CC.CC
InChIInChI=1S/C12H20.3C2H6/c1-5-8-10-12(7-3)11(4)9-6-2;3*1-2/h5,8,10H,1,6-7,9H2,2-4H3;3*1-2H3/b10-8-,12-11+;;;
InChIKeyZCCVODYHRLTVHL-HVOGBEABSA-N
XLogP7.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.50
LogP ≤ 57.33
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)-5-ethyl-6-methylhepta-1,3,5-triene
CID 143033929
(3Z,5Z)-3,4-diethylocta-1,3,5,7-tetraene;ethane
CID 162432866
(E)-N-ethenyl-2-ethyl-3-methylhex-2-en-1-imine
CID 145499159
ethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene
CID 145142585
(E)-4,5-dimethyloct-4-ene
CID 12714364
(Z)-3,4-dimethylhept-3-ene;ethane;propane
CID 144674690
(3Z,5Z)-5-methylhepta-1,3,5-triene;propane
CID 142516353
2,3-dimethylhex-2-ene;ethane
CID 144601748
ethane;(Z)-[(4Z)-hepta-4,6-dien-3-ylidene]hydrazine
CID 165132847
5-methylocta-1,3,5-triene
CID 123706098
(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene
CID 142047079
(3Z,5Z)-5-ethylhepta-1,3,5-triene;methane
CID 143680457

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z,5E)-5-ethyl-6-methylnona-1,3,5-triene?
The IUPAC name of ethane;(3Z,5E)-5-ethyl-6-methylnona-1,3,5-triene (CID 144652026) is ethane;(3Z,5E)-5-ethyl-6-methylnona-1,3,5-triene.
What is the SMILES notation for ethane;(3Z,5E)-5-ethyl-6-methylnona-1,3,5-triene?
The canonical SMILES for ethane;(3Z,5E)-5-ethyl-6-methylnona-1,3,5-triene is C=C/C=C\C(CC)=C(/C)CCC.CC.CC.CC.
What is the InChIKey of ethane;(3Z,5E)-5-ethyl-6-methylnona-1,3,5-triene?
The InChIKey is ZCCVODYHRLTVHL-HVOGBEABSA-N. The full InChI is InChI=1S/C12H20.3C2H6/c1-5-8-10-12(7-3)11(4)9-6-2;3*1-2/h5,8,10H,1,6-7,9H2,2-4H3;3*1-2H3/b10-8-,12-11+;;;.
What are the key properties of ethane;(3Z,5E)-5-ethyl-6-methylnona-1,3,5-triene?
ethane;(3Z,5E)-5-ethyl-6-methylnona-1,3,5-triene has a molecular weight of 254.50 g/mol, XLogP of 7.33, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z,5E)-5-ethyl-6-methylnona-1,3,5-triene is sourced from PubChem (CID 144652026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).