(6E)-5-ethyl-2,5-dimethylnona-2,6-diene

C13H24 — CID 23451421

IUPAC(6E)-5-ethyl-2,5-dimethylnona-2,6-diene
SMILESCC/C=C/C(C)(CC)CC=C(C)C
InChIInChI=1S/C13H24/c1-6-8-10-13(5,7-2)11-9-12(3)4/h8-10H,6-7,11H2,1-5H3/b10-8+
InChIKeySOSJHGAMMKJAIU-CSKARUKUSA-N
MW180.33 g/mol
LogP4.73
Rot. Bonds5

About (6E)-5-ethyl-2,5-dimethylnona-2,6-diene

(6E)-5-ethyl-2,5-dimethylnona-2,6-diene (PubChem CID 23451421) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is (6E)-5-ethyl-2,5-dimethylnona-2,6-diene.

Molecular Properties

Compound Name(6E)-5-ethyl-2,5-dimethylnona-2,6-diene
PubChem CID23451421
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name(6E)-5-ethyl-2,5-dimethylnona-2,6-diene
SMILESCC/C=C/C(C)(CC)CC=C(C)C
InChIInChI=1S/C13H24/c1-6-8-10-13(5,7-2)11-9-12(3)4/h8-10H,6-7,11H2,1-5H3/b10-8+
InChIKeySOSJHGAMMKJAIU-CSKARUKUSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E)-5-ethyl-2,5-dimethylnona-2,6-diene?
The IUPAC name of (6E)-5-ethyl-2,5-dimethylnona-2,6-diene (CID 23451421) is (6E)-5-ethyl-2,5-dimethylnona-2,6-diene.
What is the SMILES notation for (6E)-5-ethyl-2,5-dimethylnona-2,6-diene?
The canonical SMILES for (6E)-5-ethyl-2,5-dimethylnona-2,6-diene is CC/C=C/C(C)(CC)CC=C(C)C.
What is the InChIKey of (6E)-5-ethyl-2,5-dimethylnona-2,6-diene?
The InChIKey is SOSJHGAMMKJAIU-CSKARUKUSA-N. The full InChI is InChI=1S/C13H24/c1-6-8-10-13(5,7-2)11-9-12(3)4/h8-10H,6-7,11H2,1-5H3/b10-8+.
What are the key properties of (6E)-5-ethyl-2,5-dimethylnona-2,6-diene?
(6E)-5-ethyl-2,5-dimethylnona-2,6-diene has a molecular weight of 180.33 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-5-ethyl-2,5-dimethylnona-2,6-diene is sourced from PubChem (CID 23451421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).