2-methyl-2-(2-methylprop-2-enoxy)but-3-en-1-ol

C9H16O2 — CID 164680423

IUPAC2-methyl-2-(2-methylprop-2-enoxy)but-3-en-1-ol
SMILESC=CC(C)(CO)OCC(=C)C
InChIInChI=1S/C9H16O2/c1-5-9(4,7-10)11-6-8(2)3/h5,10H,1-2,6-7H2,3-4H3
InChIKeyYHCSPSIFRAXOEP-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.52
Rot. Bonds5

About 2-methyl-2-(2-methylprop-2-enoxy)but-3-en-1-ol

2-methyl-2-(2-methylprop-2-enoxy)but-3-en-1-ol (PubChem CID 164680423) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-methyl-2-(2-methylprop-2-enoxy)but-3-en-1-ol.

Molecular Properties

Compound Name2-methyl-2-(2-methylprop-2-enoxy)but-3-en-1-ol
PubChem CID164680423
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-methyl-2-(2-methylprop-2-enoxy)but-3-en-1-ol
SMILESC=CC(C)(CO)OCC(=C)C
InChIInChI=1S/C9H16O2/c1-5-9(4,7-10)11-6-8(2)3/h5,10H,1-2,6-7H2,3-4H3
InChIKeyYHCSPSIFRAXOEP-UHFFFAOYSA-N
XLogP1.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-2-(2-methylprop-2-enoxy)but-3-en-1-ol 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-methyl-2-(2-methylprop-2-enoxy)but-3-en-1-ol?
The IUPAC name of 2-methyl-2-(2-methylprop-2-enoxy)but-3-en-1-ol (CID 164680423) is 2-methyl-2-(2-methylprop-2-enoxy)but-3-en-1-ol.
What is the SMILES notation for 2-methyl-2-(2-methylprop-2-enoxy)but-3-en-1-ol?
The canonical SMILES for 2-methyl-2-(2-methylprop-2-enoxy)but-3-en-1-ol is C=CC(C)(CO)OCC(=C)C.
What is the InChIKey of 2-methyl-2-(2-methylprop-2-enoxy)but-3-en-1-ol?
The InChIKey is YHCSPSIFRAXOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-5-9(4,7-10)11-6-8(2)3/h5,10H,1-2,6-7H2,3-4H3.
What are the key properties of 2-methyl-2-(2-methylprop-2-enoxy)but-3-en-1-ol?
2-methyl-2-(2-methylprop-2-enoxy)but-3-en-1-ol has a molecular weight of 156.22 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylprop-2-enoxy)but-3-en-1-ol is sourced from PubChem (CID 164680423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).