2,6-dimethyloct-1-ene

C10H20 — CID 522308

IUPAC2,6-dimethyloct-1-ene
SMILESC=C(C)CCCC(C)CC
InChIInChI=1S/C10H20/c1-5-10(4)8-6-7-9(2)3/h10H,2,5-8H2,1,3-4H3
InChIKeyOQYDUZQDNJQPBV-UHFFFAOYSA-N
MW140.27 g/mol
LogP3.78
Rot. Bonds5

About 2,6-dimethyloct-1-ene

2,6-dimethyloct-1-ene (PubChem CID 522308) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is 2,6-dimethyloct-1-ene.

Molecular Properties

Compound Name2,6-dimethyloct-1-ene
PubChem CID522308
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name2,6-dimethyloct-1-ene
SMILESC=C(C)CCCC(C)CC
InChIInChI=1S/C10H20/c1-5-10(4)8-6-7-9(2)3/h10H,2,5-8H2,1,3-4H3
InChIKeyOQYDUZQDNJQPBV-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
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 2,6-dimethyloct-1-ene?
The IUPAC name of 2,6-dimethyloct-1-ene (CID 522308) is 2,6-dimethyloct-1-ene.
What is the SMILES notation for 2,6-dimethyloct-1-ene?
The canonical SMILES for 2,6-dimethyloct-1-ene is C=C(C)CCCC(C)CC.
What is the InChIKey of 2,6-dimethyloct-1-ene?
The InChIKey is OQYDUZQDNJQPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20/c1-5-10(4)8-6-7-9(2)3/h10H,2,5-8H2,1,3-4H3.
What are the key properties of 2,6-dimethyloct-1-ene?
2,6-dimethyloct-1-ene has a molecular weight of 140.27 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyloct-1-ene is sourced from PubChem (CID 522308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).