ethane;(4E,6Z)-4-methylocta-1,4,6-triene

C11H20 — CID 142893307

IUPACethane;(4E,6Z)-4-methylocta-1,4,6-triene
SMILESC=CC/C(C)=C/C=C\C.CC
InChIInChI=1S/C9H14.C2H6/c1-4-6-8-9(3)7-5-2;1-2/h4-6,8H,2,7H2,1,3H3;1-2H3/b6-4-,9-8+;
InChIKeyYYTVVCLYFZOMPG-DCVUVSDRSA-N
MW152.28 g/mol
LogP4.11
Rot. Bonds3

About ethane;(4E,6Z)-4-methylocta-1,4,6-triene

ethane;(4E,6Z)-4-methylocta-1,4,6-triene (PubChem CID 142893307) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is ethane;(4E,6Z)-4-methylocta-1,4,6-triene.

Molecular Properties

Compound Nameethane;(4E,6Z)-4-methylocta-1,4,6-triene
PubChem CID142893307
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Nameethane;(4E,6Z)-4-methylocta-1,4,6-triene
SMILESC=CC/C(C)=C/C=C\C.CC
InChIInChI=1S/C9H14.C2H6/c1-4-6-8-9(3)7-5-2;1-2/h4-6,8H,2,7H2,1,3H3;1-2H3/b6-4-,9-8+;
InChIKeyYYTVVCLYFZOMPG-DCVUVSDRSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(4E,6Z)-4-methylocta-1,4,6-triene?
The IUPAC name of ethane;(4E,6Z)-4-methylocta-1,4,6-triene (CID 142893307) is ethane;(4E,6Z)-4-methylocta-1,4,6-triene.
What is the SMILES notation for ethane;(4E,6Z)-4-methylocta-1,4,6-triene?
The canonical SMILES for ethane;(4E,6Z)-4-methylocta-1,4,6-triene is C=CC/C(C)=C/C=C\C.CC.
What is the InChIKey of ethane;(4E,6Z)-4-methylocta-1,4,6-triene?
The InChIKey is YYTVVCLYFZOMPG-DCVUVSDRSA-N. The full InChI is InChI=1S/C9H14.C2H6/c1-4-6-8-9(3)7-5-2;1-2/h4-6,8H,2,7H2,1,3H3;1-2H3/b6-4-,9-8+;.
What are the key properties of ethane;(4E,6Z)-4-methylocta-1,4,6-triene?
ethane;(4E,6Z)-4-methylocta-1,4,6-triene has a molecular weight of 152.28 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E,6Z)-4-methylocta-1,4,6-triene is sourced from PubChem (CID 142893307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).