4-(2-methoxyethyl)oct-1-ene

C11H22O — CID 12680837

IUPAC4-(2-methoxyethyl)oct-1-ene
SMILESC=CCC(CCCC)CCOC
InChIInChI=1S/C11H22O/c1-4-6-8-11(7-5-2)9-10-12-3/h5,11H,2,4,6-10H2,1,3H3
InChIKeyQIHBFZGHGNXVJJ-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.41
Rot. Bonds8

About 4-(2-methoxyethyl)oct-1-ene

4-(2-methoxyethyl)oct-1-ene (PubChem CID 12680837) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 4-(2-methoxyethyl)oct-1-ene.

Molecular Properties

Compound Name4-(2-methoxyethyl)oct-1-ene
PubChem CID12680837
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name4-(2-methoxyethyl)oct-1-ene
SMILESC=CCC(CCCC)CCOC
InChIInChI=1S/C11H22O/c1-4-6-8-11(7-5-2)9-10-12-3/h5,11H,2,4,6-10H2,1,3H3
InChIKeyQIHBFZGHGNXVJJ-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
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'}

Analyze 4-(2-methoxyethyl)oct-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)oct-1-ene?
The IUPAC name of 4-(2-methoxyethyl)oct-1-ene (CID 12680837) is 4-(2-methoxyethyl)oct-1-ene.
What is the SMILES notation for 4-(2-methoxyethyl)oct-1-ene?
The canonical SMILES for 4-(2-methoxyethyl)oct-1-ene is C=CCC(CCCC)CCOC.
What is the InChIKey of 4-(2-methoxyethyl)oct-1-ene?
The InChIKey is QIHBFZGHGNXVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-4-6-8-11(7-5-2)9-10-12-3/h5,11H,2,4,6-10H2,1,3H3.
What are the key properties of 4-(2-methoxyethyl)oct-1-ene?
4-(2-methoxyethyl)oct-1-ene has a molecular weight of 170.30 g/mol, XLogP of 3.41, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)oct-1-ene is sourced from PubChem (CID 12680837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).