2-(2-ethoxyethoxy)-4-methylpent-1-ene

C10H20O2 — CID 134449907

IUPAC2-(2-ethoxyethoxy)-4-methylpent-1-ene
SMILESC=C(CC(C)C)OCCOCC
InChIInChI=1S/C10H20O2/c1-5-11-6-7-12-10(4)8-9(2)3/h9H,4-8H2,1-3H3
InChIKeyOZSPIVLJWRKABY-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.60
Rot. Bonds7

About 2-(2-ethoxyethoxy)-4-methylpent-1-ene

2-(2-ethoxyethoxy)-4-methylpent-1-ene (PubChem CID 134449907) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-4-methylpent-1-ene.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-4-methylpent-1-ene
PubChem CID134449907
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-(2-ethoxyethoxy)-4-methylpent-1-ene
SMILESC=C(CC(C)C)OCCOCC
InChIInChI=1S/C10H20O2/c1-5-11-6-7-12-10(4)8-9(2)3/h9H,4-8H2,1-3H3
InChIKeyOZSPIVLJWRKABY-UHFFFAOYSA-N
XLogP2.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-ethoxyethoxy)-4-methylpent-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 2-(2-ethoxyethoxy)-4-methylpent-1-ene?
The IUPAC name of 2-(2-ethoxyethoxy)-4-methylpent-1-ene (CID 134449907) is 2-(2-ethoxyethoxy)-4-methylpent-1-ene.
What is the SMILES notation for 2-(2-ethoxyethoxy)-4-methylpent-1-ene?
The canonical SMILES for 2-(2-ethoxyethoxy)-4-methylpent-1-ene is C=C(CC(C)C)OCCOCC.
What is the InChIKey of 2-(2-ethoxyethoxy)-4-methylpent-1-ene?
The InChIKey is OZSPIVLJWRKABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-11-6-7-12-10(4)8-9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of 2-(2-ethoxyethoxy)-4-methylpent-1-ene?
2-(2-ethoxyethoxy)-4-methylpent-1-ene has a molecular weight of 172.27 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-4-methylpent-1-ene is sourced from PubChem (CID 134449907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).