1-ethenoxy-2-methylpropan-1-ol

C6H12O2 — CID 22177348

IUPAC1-ethenoxy-2-methylpropan-1-ol
SMILESC=COC(O)C(C)C
InChIInChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h4-7H,1H2,2-3H3
InChIKeyLNTDXONIQLFHFG-UHFFFAOYSA-N
MW116.16 g/mol
LogP1.12
Rot. Bonds3

About 1-ethenoxy-2-methylpropan-1-ol

1-ethenoxy-2-methylpropan-1-ol (PubChem CID 22177348) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 1-ethenoxy-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-ethenoxy-2-methylpropan-1-ol
PubChem CID22177348
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name1-ethenoxy-2-methylpropan-1-ol
SMILESC=COC(O)C(C)C
InChIInChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h4-7H,1H2,2-3H3
InChIKeyLNTDXONIQLFHFG-UHFFFAOYSA-N
XLogP1.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethenoxy-2-methylpropan-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 1-ethenoxy-2-methylpropan-1-ol?
The IUPAC name of 1-ethenoxy-2-methylpropan-1-ol (CID 22177348) is 1-ethenoxy-2-methylpropan-1-ol.
What is the SMILES notation for 1-ethenoxy-2-methylpropan-1-ol?
The canonical SMILES for 1-ethenoxy-2-methylpropan-1-ol is C=COC(O)C(C)C.
What is the InChIKey of 1-ethenoxy-2-methylpropan-1-ol?
The InChIKey is LNTDXONIQLFHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h4-7H,1H2,2-3H3.
What are the key properties of 1-ethenoxy-2-methylpropan-1-ol?
1-ethenoxy-2-methylpropan-1-ol has a molecular weight of 116.16 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2-methylpropan-1-ol is sourced from PubChem (CID 22177348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).