(3Z,5E)-6,9-dimethyl-3-propan-2-yldeca-1,3,5-triene

C15H26 — CID 176935122

IUPAC(3Z,5E)-6,9-dimethyl-3-propan-2-yldeca-1,3,5-triene
SMILESC=C/C(=C\C=C(/C)CCC(C)C)C(C)C
InChIInChI=1S/C15H26/c1-7-15(13(4)5)11-10-14(6)9-8-12(2)3/h7,10-13H,1,8-9H2,2-6H3/b14-10+,15-11+
InChIKeyGNZBVZLUNGBFAD-WFYKWJGLSA-N
MW206.37 g/mol
LogP5.14
Rot. Bonds6

About (3Z,5E)-6,9-dimethyl-3-propan-2-yldeca-1,3,5-triene

(3Z,5E)-6,9-dimethyl-3-propan-2-yldeca-1,3,5-triene (PubChem CID 176935122) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is (3Z,5E)-6,9-dimethyl-3-propan-2-yldeca-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-6,9-dimethyl-3-propan-2-yldeca-1,3,5-triene
PubChem CID176935122
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name(3Z,5E)-6,9-dimethyl-3-propan-2-yldeca-1,3,5-triene
SMILESC=C/C(=C\C=C(/C)CCC(C)C)C(C)C
InChIInChI=1S/C15H26/c1-7-15(13(4)5)11-10-14(6)9-8-12(2)3/h7,10-13H,1,8-9H2,2-6H3/b14-10+,15-11+
InChIKeyGNZBVZLUNGBFAD-WFYKWJGLSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.37
LogP ≤ 55.14
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)-6,9-dimethyl-3-propan-2-yldeca-1,3,5-triene?
The IUPAC name of (3Z,5E)-6,9-dimethyl-3-propan-2-yldeca-1,3,5-triene (CID 176935122) is (3Z,5E)-6,9-dimethyl-3-propan-2-yldeca-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-6,9-dimethyl-3-propan-2-yldeca-1,3,5-triene?
The canonical SMILES for (3Z,5E)-6,9-dimethyl-3-propan-2-yldeca-1,3,5-triene is C=C/C(=C\C=C(/C)CCC(C)C)C(C)C.
What is the InChIKey of (3Z,5E)-6,9-dimethyl-3-propan-2-yldeca-1,3,5-triene?
The InChIKey is GNZBVZLUNGBFAD-WFYKWJGLSA-N. The full InChI is InChI=1S/C15H26/c1-7-15(13(4)5)11-10-14(6)9-8-12(2)3/h7,10-13H,1,8-9H2,2-6H3/b14-10+,15-11+.
What are the key properties of (3Z,5E)-6,9-dimethyl-3-propan-2-yldeca-1,3,5-triene?
(3Z,5E)-6,9-dimethyl-3-propan-2-yldeca-1,3,5-triene has a molecular weight of 206.37 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-6,9-dimethyl-3-propan-2-yldeca-1,3,5-triene is sourced from PubChem (CID 176935122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).