(3Z,5Z)-3,4-diethylocta-1,3,5,7-tetraene;ethane

C18H36 — CID 162432866

IUPAC(3Z,5Z)-3,4-diethylocta-1,3,5,7-tetraene;ethane
SMILESC=C/C=C\C(CC)=C(/C=C)CC.CC.CC.CC
InChIInChI=1S/C12H18.3C2H6/c1-5-9-10-12(8-4)11(6-2)7-3;3*1-2/h5-6,9-10H,1-2,7-8H2,3-4H3;3*1-2H3/b10-9-,12-11+;;;
InChIKeyPAUNRKKRHZTUQO-TWZJOZQQSA-N
MW252.49 g/mol
LogP7.11
Rot. Bonds5

About (3Z,5Z)-3,4-diethylocta-1,3,5,7-tetraene;ethane

(3Z,5Z)-3,4-diethylocta-1,3,5,7-tetraene;ethane (PubChem CID 162432866) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is (3Z,5Z)-3,4-diethylocta-1,3,5,7-tetraene;ethane.

Molecular Properties

Compound Name(3Z,5Z)-3,4-diethylocta-1,3,5,7-tetraene;ethane
PubChem CID162432866
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name(3Z,5Z)-3,4-diethylocta-1,3,5,7-tetraene;ethane
SMILESC=C/C=C\C(CC)=C(/C=C)CC.CC.CC.CC
InChIInChI=1S/C12H18.3C2H6/c1-5-9-10-12(8-4)11(6-2)7-3;3*1-2/h5-6,9-10H,1-2,7-8H2,3-4H3;3*1-2H3/b10-9-,12-11+;;;
InChIKeyPAUNRKKRHZTUQO-TWZJOZQQSA-N
XLogP7.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 57.11
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
ethane;(3Z,5E)-5-ethyl-6-methylnona-1,3,5-triene
CID 144652026
ethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene
CID 145142585
ethane;(Z)-[(4Z)-hepta-4,6-dien-3-ylidene]hydrazine
CID 165132847
ethane;(3Z,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene
CID 143972745
ethane;(3E,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene
CID 145032190
ethane;(3Z,5Z)-3-ethyl-4-methylhepta-1,3,5-triene
CID 142883433
(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene
CID 142047079
(3Z,5Z)-5-ethylhepta-1,3,5-triene;methane
CID 143680457
ethane;(3Z)-hexa-1,3,5-triene;propane
CID 142062128
(3Z,5Z)-5-ethylhepta-1,3,5-triene;2-methylbuta-1,3-diene
CID 162361818
(3E)-3-ethyl-4-iodopenta-1,3-diene
CID 88557355

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3,4-diethylocta-1,3,5,7-tetraene;ethane?
The IUPAC name of (3Z,5Z)-3,4-diethylocta-1,3,5,7-tetraene;ethane (CID 162432866) is (3Z,5Z)-3,4-diethylocta-1,3,5,7-tetraene;ethane.
What is the SMILES notation for (3Z,5Z)-3,4-diethylocta-1,3,5,7-tetraene;ethane?
The canonical SMILES for (3Z,5Z)-3,4-diethylocta-1,3,5,7-tetraene;ethane is C=C/C=C\C(CC)=C(/C=C)CC.CC.CC.CC.
What is the InChIKey of (3Z,5Z)-3,4-diethylocta-1,3,5,7-tetraene;ethane?
The InChIKey is PAUNRKKRHZTUQO-TWZJOZQQSA-N. The full InChI is InChI=1S/C12H18.3C2H6/c1-5-9-10-12(8-4)11(6-2)7-3;3*1-2/h5-6,9-10H,1-2,7-8H2,3-4H3;3*1-2H3/b10-9-,12-11+;;;.
What are the key properties of (3Z,5Z)-3,4-diethylocta-1,3,5,7-tetraene;ethane?
(3Z,5Z)-3,4-diethylocta-1,3,5,7-tetraene;ethane has a molecular weight of 252.49 g/mol, XLogP of 7.11, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3,4-diethylocta-1,3,5,7-tetraene;ethane is sourced from PubChem (CID 162432866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).