(3Z,5E,6E)-5-ethylidene-6-methylocta-1,3,6-triene

C11H16 — CID 155717462

IUPAC(3Z,5E,6E)-5-ethylidene-6-methylocta-1,3,6-triene
SMILESC=C/C=C\C(=C/C)\C(C)=C\C
InChIInChI=1S/C11H16/c1-5-8-9-11(7-3)10(4)6-2/h5-9H,1H2,2-4H3/b9-8-,10-6+,11-7+
InChIKeyXHIYPPRLEXLTNL-BTIBOPHBSA-N
MW148.25 g/mol
LogP3.64
Rot. Bonds3

About (3Z,5E,6E)-5-ethylidene-6-methylocta-1,3,6-triene

(3Z,5E,6E)-5-ethylidene-6-methylocta-1,3,6-triene (PubChem CID 155717462) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is (3Z,5E,6E)-5-ethylidene-6-methylocta-1,3,6-triene.

Molecular Properties

Compound Name(3Z,5E,6E)-5-ethylidene-6-methylocta-1,3,6-triene
PubChem CID155717462
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name(3Z,5E,6E)-5-ethylidene-6-methylocta-1,3,6-triene
SMILESC=C/C=C\C(=C/C)\C(C)=C\C
InChIInChI=1S/C11H16/c1-5-8-9-11(7-3)10(4)6-2/h5-9H,1H2,2-4H3/b9-8-,10-6+,11-7+
InChIKeyXHIYPPRLEXLTNL-BTIBOPHBSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E,6E)-5-ethylidene-6-methylocta-1,3,6-triene?
The IUPAC name of (3Z,5E,6E)-5-ethylidene-6-methylocta-1,3,6-triene (CID 155717462) is (3Z,5E,6E)-5-ethylidene-6-methylocta-1,3,6-triene.
What is the SMILES notation for (3Z,5E,6E)-5-ethylidene-6-methylocta-1,3,6-triene?
The canonical SMILES for (3Z,5E,6E)-5-ethylidene-6-methylocta-1,3,6-triene is C=C/C=C\C(=C/C)\C(C)=C\C.
What is the InChIKey of (3Z,5E,6E)-5-ethylidene-6-methylocta-1,3,6-triene?
The InChIKey is XHIYPPRLEXLTNL-BTIBOPHBSA-N. The full InChI is InChI=1S/C11H16/c1-5-8-9-11(7-3)10(4)6-2/h5-9H,1H2,2-4H3/b9-8-,10-6+,11-7+.
What are the key properties of (3Z,5E,6E)-5-ethylidene-6-methylocta-1,3,6-triene?
(3Z,5E,6E)-5-ethylidene-6-methylocta-1,3,6-triene has a molecular weight of 148.25 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,6E)-5-ethylidene-6-methylocta-1,3,6-triene is sourced from PubChem (CID 155717462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).