2,2-dimethyl-3-(prop-1-enoxymethyl)oxirane

C8H14O2 — CID 54050941

IUPAC2,2-dimethyl-3-(prop-1-enoxymethyl)oxirane
SMILESCC=COCC1OC1(C)C
InChIInChI=1S/C8H14O2/c1-4-5-9-6-7-8(2,3)10-7/h4-5,7H,6H2,1-3H3
InChIKeyLSUYZBWULKOLMR-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.71
Rot. Bonds3

About 2,2-dimethyl-3-(prop-1-enoxymethyl)oxirane

2,2-dimethyl-3-(prop-1-enoxymethyl)oxirane (PubChem CID 54050941) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2,2-dimethyl-3-(prop-1-enoxymethyl)oxirane.

Molecular Properties

Compound Name2,2-dimethyl-3-(prop-1-enoxymethyl)oxirane
PubChem CID54050941
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2,2-dimethyl-3-(prop-1-enoxymethyl)oxirane
SMILESCC=COCC1OC1(C)C
InChIInChI=1S/C8H14O2/c1-4-5-9-6-7-8(2,3)10-7/h4-5,7H,6H2,1-3H3
InChIKeyLSUYZBWULKOLMR-UHFFFAOYSA-N
XLogP1.71
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-3-(prop-1-enoxymethyl)oxirane 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

2-{2-[(Prop-2-en-1-yl)oxy]propan-2-yl}oxirane
CID 13757196
2-Methyl-2-(prop-1-enoxymethyl)oxirane
CID 118661347
2-(4-Prop-1-enoxybutoxymethyl)oxirane
CID 139917764
2-(2-Prop-1-enoxyethoxymethyl)oxirane
CID 139917765
2,3-Dimethyl-2-(prop-1-enoxymethyl)oxirane
CID 140365265
2-Ethyl-2-(prop-2-enoxymethyl)oxirane
CID 141221836
2-Methyl-3-(3-methylbut-1-enoxymethyl)oxirane
CID 158616685
2-Methyl-3-(prop-1-enoxymethyl)oxirane
CID 161018068
2-Methyl-3-(3-methylpent-1-enoxymethyl)oxirane
CID 162174643
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxirane
CID 176603567
2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxirane
CID 176603839
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxirane
CID 176604577

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(prop-1-enoxymethyl)oxirane?
The IUPAC name of 2,2-dimethyl-3-(prop-1-enoxymethyl)oxirane (CID 54050941) is 2,2-dimethyl-3-(prop-1-enoxymethyl)oxirane.
What is the SMILES notation for 2,2-dimethyl-3-(prop-1-enoxymethyl)oxirane?
The canonical SMILES for 2,2-dimethyl-3-(prop-1-enoxymethyl)oxirane is CC=COCC1OC1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(prop-1-enoxymethyl)oxirane?
The InChIKey is LSUYZBWULKOLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-5-9-6-7-8(2,3)10-7/h4-5,7H,6H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(prop-1-enoxymethyl)oxirane?
2,2-dimethyl-3-(prop-1-enoxymethyl)oxirane has a molecular weight of 142.20 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(prop-1-enoxymethyl)oxirane is sourced from PubChem (CID 54050941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).