2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane

C10H18O3 — CID 87296159

IUPAC2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.C=C(C)C
InChIInChI=1S/C6H10O3.C4H8/c1(5-3-8-5)7-2-6-4-9-6;1-4(2)3/h5-6H,1-4H2;1H2,2-3H3
InChIKeyATSIKUSUAVLJMM-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.38
Rot. Bonds4

About 2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane

2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 87296159) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Name2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID87296159
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.C=C(C)C
InChIInChI=1S/C6H10O3.C4H8/c1(5-3-8-5)7-2-6-4-9-6;1-4(2)3/h5-6H,1-4H2;1H2,2-3H3
InChIKeyATSIKUSUAVLJMM-UHFFFAOYSA-N
XLogP1.38
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)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-methylbut-2-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87813388
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
ethane-1,2-diol;ethene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 173313374
ethene;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene
CID 23018396
2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol
CID 22222974
ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;tetrakis(prop-1-ene)
CID 173030236
3-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174621798
1-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174689374
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
2-(oxiran-2-ylmethoxymethyl)oxirane;oxophosphane
CID 22290133
cyclopentane;ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88518341

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of 2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 87296159) is 2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for 2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for 2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.C=C(C)C.
What is the InChIKey of 2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is ATSIKUSUAVLJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C4H8/c1(5-3-8-5)7-2-6-4-9-6;1-4(2)3/h5-6H,1-4H2;1H2,2-3H3.
What are the key properties of 2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane?
2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 186.25 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 87296159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).