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

C10H20 — CID 12714364

IUPAC(E)-4,5-dimethyloct-4-ene
SMILESCCC/C(C)=C(\C)CCC
InChIInChI=1S/C10H20/c1-5-7-9(3)10(4)8-6-2/h5-8H2,1-4H3/b10-9+
InChIKeyUDVQWMUQVUDJHY-MDZDMXLPSA-N
MW140.27 g/mol
LogP3.92
Rot. Bonds4

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

(E)-4,5-dimethyloct-4-ene (PubChem CID 12714364) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is (E)-4,5-dimethyloct-4-ene.

Molecular Properties

Compound Name(E)-4,5-dimethyloct-4-ene
PubChem CID12714364
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name(E)-4,5-dimethyloct-4-ene
SMILESCCC/C(C)=C(\C)CCC
InChIInChI=1S/C10H20/c1-5-7-9(3)10(4)8-6-2/h5-8H2,1-4H3/b10-9+
InChIKeyUDVQWMUQVUDJHY-MDZDMXLPSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3,4-dimethylhept-3-ene;ethane;propane
CID 144674690
2,3-dimethylhex-2-ene;ethane
CID 144601748
6,7-dimethyldeca-2,6-diene
CID 91199113
5-methyloct-4-en-4-amine
CID 176900512
4,5-dimethyloct-4-en-2-amine
CID 123398883
(Z)-5,6-dimethylnon-5-en-4-one
CID 176967590
3,4,5-trimethylocta-2,4-diene
CID 54130832
8,9-dimethylhexadec-8-ene
CID 140717938
(E)-N,4-dimethylhept-3-en-3-amine
CID 170734903
5-ethyl-4-methylnon-4-ene
CID 143021471
gadolinium;hexane-2,3-dione
CID 87787502
pentan-2-ylidenezirconium(2+)
CID 158287335

Frequently Asked Questions

What is the IUPAC name of (E)-4,5-dimethyloct-4-ene?
The IUPAC name of (E)-4,5-dimethyloct-4-ene (CID 12714364) is (E)-4,5-dimethyloct-4-ene.
What is the SMILES notation for (E)-4,5-dimethyloct-4-ene?
The canonical SMILES for (E)-4,5-dimethyloct-4-ene is CCC/C(C)=C(\C)CCC.
What is the InChIKey of (E)-4,5-dimethyloct-4-ene?
The InChIKey is UDVQWMUQVUDJHY-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H20/c1-5-7-9(3)10(4)8-6-2/h5-8H2,1-4H3/b10-9+.
What are the key properties of (E)-4,5-dimethyloct-4-ene?
(E)-4,5-dimethyloct-4-ene has a molecular weight of 140.27 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,5-dimethyloct-4-ene is sourced from PubChem (CID 12714364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).