2-methoxy-3-propan-2-yloxybut-2-ene

C8H16O2 — CID 123355455

IUPAC2-methoxy-3-propan-2-yloxybut-2-ene
SMILESCOC(C)=C(C)OC(C)C
InChIInChI=1S/C8H16O2/c1-6(2)10-8(4)7(3)9-5/h6H,1-5H3
InChIKeyVWJFXRUOGKGXBT-UHFFFAOYSA-N
MW144.21 g/mol
LogP2.31
Rot. Bonds3

About 2-methoxy-3-propan-2-yloxybut-2-ene

2-methoxy-3-propan-2-yloxybut-2-ene (PubChem CID 123355455) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-methoxy-3-propan-2-yloxybut-2-ene.

Molecular Properties

Compound Name2-methoxy-3-propan-2-yloxybut-2-ene
PubChem CID123355455
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-methoxy-3-propan-2-yloxybut-2-ene
SMILESCOC(C)=C(C)OC(C)C
InChIInChI=1S/C8H16O2/c1-6(2)10-8(4)7(3)9-5/h6H,1-5H3
InChIKeyVWJFXRUOGKGXBT-UHFFFAOYSA-N
XLogP2.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methoxy-3-propan-2-yloxybut-2-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-methoxy-3-propan-2-yloxybut-2-ene?
The IUPAC name of 2-methoxy-3-propan-2-yloxybut-2-ene (CID 123355455) is 2-methoxy-3-propan-2-yloxybut-2-ene.
What is the SMILES notation for 2-methoxy-3-propan-2-yloxybut-2-ene?
The canonical SMILES for 2-methoxy-3-propan-2-yloxybut-2-ene is COC(C)=C(C)OC(C)C.
What is the InChIKey of 2-methoxy-3-propan-2-yloxybut-2-ene?
The InChIKey is VWJFXRUOGKGXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-6(2)10-8(4)7(3)9-5/h6H,1-5H3.
What are the key properties of 2-methoxy-3-propan-2-yloxybut-2-ene?
2-methoxy-3-propan-2-yloxybut-2-ene has a molecular weight of 144.21 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-propan-2-yloxybut-2-ene is sourced from PubChem (CID 123355455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).