5-ethyl-6-methyloct-1-ene

C11H22 — CID 123326070

IUPAC5-ethyl-6-methyloct-1-ene
SMILESC=CCCC(CC)C(C)CC
InChIInChI=1S/C11H22/c1-5-8-9-11(7-3)10(4)6-2/h5,10-11H,1,6-9H2,2-4H3
InChIKeyLHPKDJYVTDTEMK-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.02
Rot. Bonds6

About 5-ethyl-6-methyloct-1-ene

5-ethyl-6-methyloct-1-ene (PubChem CID 123326070) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 5-ethyl-6-methyloct-1-ene.

Molecular Properties

Compound Name5-ethyl-6-methyloct-1-ene
PubChem CID123326070
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name5-ethyl-6-methyloct-1-ene
SMILESC=CCCC(CC)C(C)CC
InChIInChI=1S/C11H22/c1-5-8-9-11(7-3)10(4)6-2/h5,10-11H,1,6-9H2,2-4H3
InChIKeyLHPKDJYVTDTEMK-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.02
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 5-ethyl-6-methyloct-1-ene?
The IUPAC name of 5-ethyl-6-methyloct-1-ene (CID 123326070) is 5-ethyl-6-methyloct-1-ene.
What is the SMILES notation for 5-ethyl-6-methyloct-1-ene?
The canonical SMILES for 5-ethyl-6-methyloct-1-ene is C=CCCC(CC)C(C)CC.
What is the InChIKey of 5-ethyl-6-methyloct-1-ene?
The InChIKey is LHPKDJYVTDTEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-5-8-9-11(7-3)10(4)6-2/h5,10-11H,1,6-9H2,2-4H3.
What are the key properties of 5-ethyl-6-methyloct-1-ene?
5-ethyl-6-methyloct-1-ene has a molecular weight of 154.30 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyloct-1-ene is sourced from PubChem (CID 123326070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).