4-(ethoxymethyl)-4-ethylhex-1-ene

C11H22O — CID 166673349

IUPAC4-(ethoxymethyl)-4-ethylhex-1-ene
SMILESC=CCC(CC)(CC)COCC
InChIInChI=1S/C11H22O/c1-5-9-11(6-2,7-3)10-12-8-4/h5H,1,6-10H2,2-4H3
InChIKeySOWYBUFNQMWIAM-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.41
Rot. Bonds7

About 4-(ethoxymethyl)-4-ethylhex-1-ene

4-(ethoxymethyl)-4-ethylhex-1-ene (PubChem CID 166673349) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 4-(ethoxymethyl)-4-ethylhex-1-ene.

Molecular Properties

Compound Name4-(ethoxymethyl)-4-ethylhex-1-ene
PubChem CID166673349
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name4-(ethoxymethyl)-4-ethylhex-1-ene
SMILESC=CCC(CC)(CC)COCC
InChIInChI=1S/C11H22O/c1-5-9-11(6-2,7-3)10-12-8-4/h5H,1,6-10H2,2-4H3
InChIKeySOWYBUFNQMWIAM-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(ethoxymethyl)-4-ethylhex-1-ene?
The IUPAC name of 4-(ethoxymethyl)-4-ethylhex-1-ene (CID 166673349) is 4-(ethoxymethyl)-4-ethylhex-1-ene.
What is the SMILES notation for 4-(ethoxymethyl)-4-ethylhex-1-ene?
The canonical SMILES for 4-(ethoxymethyl)-4-ethylhex-1-ene is C=CCC(CC)(CC)COCC.
What is the InChIKey of 4-(ethoxymethyl)-4-ethylhex-1-ene?
The InChIKey is SOWYBUFNQMWIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-5-9-11(6-2,7-3)10-12-8-4/h5H,1,6-10H2,2-4H3.
What are the key properties of 4-(ethoxymethyl)-4-ethylhex-1-ene?
4-(ethoxymethyl)-4-ethylhex-1-ene has a molecular weight of 170.30 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-4-ethylhex-1-ene is sourced from PubChem (CID 166673349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).