4-ethyl-3-methyloct-3-ene

C11H22 — CID 123273790

IUPAC4-ethyl-3-methyloct-3-ene
SMILESCCCCC(CC)=C(C)CC
InChIInChI=1S/C11H22/c1-5-8-9-11(7-3)10(4)6-2/h5-9H2,1-4H3
InChIKeyZMHFYBOJQLJDDR-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.31
Rot. Bonds5

About 4-ethyl-3-methyloct-3-ene

4-ethyl-3-methyloct-3-ene (PubChem CID 123273790) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 4-ethyl-3-methyloct-3-ene.

Molecular Properties

Compound Name4-ethyl-3-methyloct-3-ene
PubChem CID123273790
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name4-ethyl-3-methyloct-3-ene
SMILESCCCCC(CC)=C(C)CC
InChIInChI=1S/C11H22/c1-5-8-9-11(7-3)10(4)6-2/h5-9H2,1-4H3
InChIKeyZMHFYBOJQLJDDR-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.31
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 4-ethyl-3-methyloct-3-ene?
The IUPAC name of 4-ethyl-3-methyloct-3-ene (CID 123273790) is 4-ethyl-3-methyloct-3-ene.
What is the SMILES notation for 4-ethyl-3-methyloct-3-ene?
The canonical SMILES for 4-ethyl-3-methyloct-3-ene is CCCCC(CC)=C(C)CC.
What is the InChIKey of 4-ethyl-3-methyloct-3-ene?
The InChIKey is ZMHFYBOJQLJDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-5-8-9-11(7-3)10(4)6-2/h5-9H2,1-4H3.
What are the key properties of 4-ethyl-3-methyloct-3-ene?
4-ethyl-3-methyloct-3-ene has a molecular weight of 154.30 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methyloct-3-ene is sourced from PubChem (CID 123273790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).