(E)-2,5-dimethyloct-4-ene

C10H20 — CID 173056267

IUPAC(E)-2,5-dimethyloct-4-ene
SMILESCCC/C(C)=C/CC(C)C
InChIInChI=1S/C10H20/c1-5-6-10(4)8-7-9(2)3/h8-9H,5-7H2,1-4H3/b10-8+
InChIKeyXGBWZDFWOJSJID-CSKARUKUSA-N
MW140.27 g/mol
LogP3.78
Rot. Bonds4

About (E)-2,5-dimethyloct-4-ene

(E)-2,5-dimethyloct-4-ene (PubChem CID 173056267) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is (E)-2,5-dimethyloct-4-ene.

Molecular Properties

Compound Name(E)-2,5-dimethyloct-4-ene
PubChem CID173056267
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name(E)-2,5-dimethyloct-4-ene
SMILESCCC/C(C)=C/CC(C)C
InChIInChI=1S/C10H20/c1-5-6-10(4)8-7-9(2)3/h8-9H,5-7H2,1-4H3/b10-8+
InChIKeyXGBWZDFWOJSJID-CSKARUKUSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.78
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 (E)-2,5-dimethyloct-4-ene?
The IUPAC name of (E)-2,5-dimethyloct-4-ene (CID 173056267) is (E)-2,5-dimethyloct-4-ene.
What is the SMILES notation for (E)-2,5-dimethyloct-4-ene?
The canonical SMILES for (E)-2,5-dimethyloct-4-ene is CCC/C(C)=C/CC(C)C.
What is the InChIKey of (E)-2,5-dimethyloct-4-ene?
The InChIKey is XGBWZDFWOJSJID-CSKARUKUSA-N. The full InChI is InChI=1S/C10H20/c1-5-6-10(4)8-7-9(2)3/h8-9H,5-7H2,1-4H3/b10-8+.
What are the key properties of (E)-2,5-dimethyloct-4-ene?
(E)-2,5-dimethyloct-4-ene has a molecular weight of 140.27 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,5-dimethyloct-4-ene is sourced from PubChem (CID 173056267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).