(3Z,5E)-3,6-dimethyl-8-propylundeca-1,3,5-triene

C16H28 — CID 169188657

IUPAC(3Z,5E)-3,6-dimethyl-8-propylundeca-1,3,5-triene
SMILESC=C/C(C)=C\C=C(/C)CC(CCC)CCC
InChIInChI=1S/C16H28/c1-6-9-16(10-7-2)13-15(5)12-11-14(4)8-3/h8,11-12,16H,3,6-7,9-10,13H2,1-2,4-5H3/b14-11-,15-12+
InChIKeyPNQYINLBIYEHEQ-KMUHKHSISA-N
MW220.40 g/mol
LogP5.67
Rot. Bonds8

About (3Z,5E)-3,6-dimethyl-8-propylundeca-1,3,5-triene

(3Z,5E)-3,6-dimethyl-8-propylundeca-1,3,5-triene (PubChem CID 169188657) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is (3Z,5E)-3,6-dimethyl-8-propylundeca-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-3,6-dimethyl-8-propylundeca-1,3,5-triene
PubChem CID169188657
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name(3Z,5E)-3,6-dimethyl-8-propylundeca-1,3,5-triene
SMILESC=C/C(C)=C\C=C(/C)CC(CCC)CCC
InChIInChI=1S/C16H28/c1-6-9-16(10-7-2)13-15(5)12-11-14(4)8-3/h8,11-12,16H,3,6-7,9-10,13H2,1-2,4-5H3/b14-11-,15-12+
InChIKeyPNQYINLBIYEHEQ-KMUHKHSISA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.67
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)-3,6-dimethyl-8-propylundeca-1,3,5-triene?
The IUPAC name of (3Z,5E)-3,6-dimethyl-8-propylundeca-1,3,5-triene (CID 169188657) is (3Z,5E)-3,6-dimethyl-8-propylundeca-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-3,6-dimethyl-8-propylundeca-1,3,5-triene?
The canonical SMILES for (3Z,5E)-3,6-dimethyl-8-propylundeca-1,3,5-triene is C=C/C(C)=C\C=C(/C)CC(CCC)CCC.
What is the InChIKey of (3Z,5E)-3,6-dimethyl-8-propylundeca-1,3,5-triene?
The InChIKey is PNQYINLBIYEHEQ-KMUHKHSISA-N. The full InChI is InChI=1S/C16H28/c1-6-9-16(10-7-2)13-15(5)12-11-14(4)8-3/h8,11-12,16H,3,6-7,9-10,13H2,1-2,4-5H3/b14-11-,15-12+.
What are the key properties of (3Z,5E)-3,6-dimethyl-8-propylundeca-1,3,5-triene?
(3Z,5E)-3,6-dimethyl-8-propylundeca-1,3,5-triene has a molecular weight of 220.40 g/mol, XLogP of 5.67, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-3,6-dimethyl-8-propylundeca-1,3,5-triene is sourced from PubChem (CID 169188657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).