4-but-1-enoxy-1,1,1-trimethoxybutane

C11H22O4 — CID 151725482

IUPAC4-but-1-enoxy-1,1,1-trimethoxybutane
SMILESCCC=COCCCC(OC)(OC)OC
InChIInChI=1S/C11H22O4/c1-5-6-9-15-10-7-8-11(12-2,13-3)14-4/h6,9H,5,7-8,10H2,1-4H3
InChIKeyRJMHQXLWHBQKOU-UHFFFAOYSA-N
MW218.29 g/mol
LogP2.30
Rot. Bonds9

About 4-but-1-enoxy-1,1,1-trimethoxybutane

4-but-1-enoxy-1,1,1-trimethoxybutane (PubChem CID 151725482) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 4-but-1-enoxy-1,1,1-trimethoxybutane.

Molecular Properties

Compound Name4-but-1-enoxy-1,1,1-trimethoxybutane
PubChem CID151725482
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name4-but-1-enoxy-1,1,1-trimethoxybutane
SMILESCCC=COCCCC(OC)(OC)OC
InChIInChI=1S/C11H22O4/c1-5-6-9-15-10-7-8-11(12-2,13-3)14-4/h6,9H,5,7-8,10H2,1-4H3
InChIKeyRJMHQXLWHBQKOU-UHFFFAOYSA-N
XLogP2.30
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-but-1-enoxy-1,1,1-trimethoxybutane with MolForge

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

Launch Full Analysis

Related Compounds

1,4-bis[(E)-but-1-enoxy]butane
CID 22051874
1-[(E)-but-1-enoxy]butane
CID 5364928
3-but-1-enoxypropyl-tris(2-methoxyethoxy)silane
CID 141080753
1-[(E)-but-1-enoxy]heptane
CID 5366295
3-but-1-enoxypropyl(trichloro)silane
CID 141105534
1-(2-methoxyethoxy)but-1-ene
CID 54192618
2,2-dimethoxyundecane;1-propoxybut-1-ene
CID 158397642
1-(2-chloroethoxy)but-1-ene
CID 123683593
1,1,1,9,9,9-hexamethoxynonane
CID 161375349
1,1,1,23,23,23-hexamethoxytricosane
CID 150492552
1,1,1,27,27,27-hexamethoxyheptacosane
CID 150189125
1,1,1,25,25,25-hexamethoxypentacosane
CID 151063523

Frequently Asked Questions

What is the IUPAC name of 4-but-1-enoxy-1,1,1-trimethoxybutane?
The IUPAC name of 4-but-1-enoxy-1,1,1-trimethoxybutane (CID 151725482) is 4-but-1-enoxy-1,1,1-trimethoxybutane.
What is the SMILES notation for 4-but-1-enoxy-1,1,1-trimethoxybutane?
The canonical SMILES for 4-but-1-enoxy-1,1,1-trimethoxybutane is CCC=COCCCC(OC)(OC)OC.
What is the InChIKey of 4-but-1-enoxy-1,1,1-trimethoxybutane?
The InChIKey is RJMHQXLWHBQKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-5-6-9-15-10-7-8-11(12-2,13-3)14-4/h6,9H,5,7-8,10H2,1-4H3.
What are the key properties of 4-but-1-enoxy-1,1,1-trimethoxybutane?
4-but-1-enoxy-1,1,1-trimethoxybutane has a molecular weight of 218.29 g/mol, XLogP of 2.30, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-1-enoxy-1,1,1-trimethoxybutane is sourced from PubChem (CID 151725482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).