2-but-3-enoxy-2-methylpropane

C8H16O — CID 87648300

IUPAC2-but-3-enoxy-2-methylpropane
SMILESC=CCCOC(C)(C)C
InChIInChI=1S/C8H16O/c1-5-6-7-9-8(2,3)4/h5H,1,6-7H2,2-4H3
InChIKeyKDZVUQNNPKPICM-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.38
Rot. Bonds3

About 2-but-3-enoxy-2-methylpropane

2-but-3-enoxy-2-methylpropane (PubChem CID 87648300) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 2-but-3-enoxy-2-methylpropane.

Molecular Properties

Compound Name2-but-3-enoxy-2-methylpropane
PubChem CID87648300
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name2-but-3-enoxy-2-methylpropane
SMILESC=CCCOC(C)(C)C
InChIInChI=1S/C8H16O/c1-5-6-7-9-8(2,3)4/h5H,1,6-7H2,2-4H3
InChIKeyKDZVUQNNPKPICM-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-but-3-enoxy-2-methylpropane 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-but-3-enoxy-2-methylpropane?
The IUPAC name of 2-but-3-enoxy-2-methylpropane (CID 87648300) is 2-but-3-enoxy-2-methylpropane.
What is the SMILES notation for 2-but-3-enoxy-2-methylpropane?
The canonical SMILES for 2-but-3-enoxy-2-methylpropane is C=CCCOC(C)(C)C.
What is the InChIKey of 2-but-3-enoxy-2-methylpropane?
The InChIKey is KDZVUQNNPKPICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-5-6-7-9-8(2,3)4/h5H,1,6-7H2,2-4H3.
What are the key properties of 2-but-3-enoxy-2-methylpropane?
2-but-3-enoxy-2-methylpropane has a molecular weight of 128.21 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-2-methylpropane is sourced from PubChem (CID 87648300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).