2-methoxy-1-prop-2-enoxybutane

C8H16O2 — CID 20591415

IUPAC2-methoxy-1-prop-2-enoxybutane
SMILESC=CCOCC(CC)OC
InChIInChI=1S/C8H16O2/c1-4-6-10-7-8(5-2)9-3/h4,8H,1,5-7H2,2-3H3
InChIKeyAQGBGUMOHNVDRE-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.61
Rot. Bonds6

About 2-methoxy-1-prop-2-enoxybutane

2-methoxy-1-prop-2-enoxybutane (PubChem CID 20591415) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-methoxy-1-prop-2-enoxybutane.

Molecular Properties

Compound Name2-methoxy-1-prop-2-enoxybutane
PubChem CID20591415
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-methoxy-1-prop-2-enoxybutane
SMILESC=CCOCC(CC)OC
InChIInChI=1S/C8H16O2/c1-4-6-10-7-8(5-2)9-3/h4,8H,1,5-7H2,2-3H3
InChIKeyAQGBGUMOHNVDRE-UHFFFAOYSA-N
XLogP1.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methoxy-1-prop-2-enoxybutane 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-methoxy-1-prop-2-enoxybutane?
The IUPAC name of 2-methoxy-1-prop-2-enoxybutane (CID 20591415) is 2-methoxy-1-prop-2-enoxybutane.
What is the SMILES notation for 2-methoxy-1-prop-2-enoxybutane?
The canonical SMILES for 2-methoxy-1-prop-2-enoxybutane is C=CCOCC(CC)OC.
What is the InChIKey of 2-methoxy-1-prop-2-enoxybutane?
The InChIKey is AQGBGUMOHNVDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-6-10-7-8(5-2)9-3/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 2-methoxy-1-prop-2-enoxybutane?
2-methoxy-1-prop-2-enoxybutane has a molecular weight of 144.21 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-prop-2-enoxybutane is sourced from PubChem (CID 20591415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).