2-[[4-(2-methoxyethoxy)-4-methylpentan-2-yl]oxymethyl]oxirane

C12H24O4 — CID 90774337

IUPAC2-[[4-(2-methoxyethoxy)-4-methylpentan-2-yl]oxymethyl]oxirane
SMILESCOCCOC(C)(C)CC(C)OCC1CO1
InChIInChI=1S/C12H24O4/c1-10(14-8-11-9-15-11)7-12(2,3)16-6-5-13-4/h10-11H,5-9H2,1-4H3
InChIKeyBDFHPNJKAPULAD-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.62
Rot. Bonds9

About 2-[[4-(2-methoxyethoxy)-4-methylpentan-2-yl]oxymethyl]oxirane

2-[[4-(2-methoxyethoxy)-4-methylpentan-2-yl]oxymethyl]oxirane (PubChem CID 90774337) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-[[4-(2-methoxyethoxy)-4-methylpentan-2-yl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[4-(2-methoxyethoxy)-4-methylpentan-2-yl]oxymethyl]oxirane
PubChem CID90774337
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name2-[[4-(2-methoxyethoxy)-4-methylpentan-2-yl]oxymethyl]oxirane
SMILESCOCCOC(C)(C)CC(C)OCC1CO1
InChIInChI=1S/C12H24O4/c1-10(14-8-11-9-15-11)7-12(2,3)16-6-5-13-4/h10-11H,5-9H2,1-4H3
InChIKeyBDFHPNJKAPULAD-UHFFFAOYSA-N
XLogP1.62
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Oxirane, 2-[(1,3-dimethylbutoxy)methyl]-
CID 24691573
((Isopentyloxy)methyl)oxirane
CID 85936
((1,1-Dimethylpropoxy)methyl)oxirane
CID 142602
Oxirane, ((1,1-dimethylbutoxy)methyl)
CID 142603
Oxirane, 2,2'-((dimethyl-1,3-propanediyl)bis(oxymethylene))bis-
CID 6453146
4-Butoxy-2-methyl-2,3-epoxybutane
CID 12723340
2,2'-(6,,-Trimethyl-2,5,8,11-tetraoxadodecane-1,12-diyl)bisoxirane
CID 44151813
2-[(2-Methylbutoxy)methyl]oxirane
CID 258200
2-(2-Butoxypropan-2-yl)oxirane
CID 13757195
2,2-Bis(1-methoxyethyl)oxirane
CID 18512430
2-[2-[2-(Oxiran-2-yl)propan-2-yloxy]propan-2-yl]oxirane
CID 18622395
2-[2-[2-(2,3-Dimethyloxiran-2-yl)propan-2-yloxy]propan-2-yl]-2,3-dimethyloxirane
CID 18622418

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyethoxy)-4-methylpentan-2-yl]oxymethyl]oxirane?
The IUPAC name of 2-[[4-(2-methoxyethoxy)-4-methylpentan-2-yl]oxymethyl]oxirane (CID 90774337) is 2-[[4-(2-methoxyethoxy)-4-methylpentan-2-yl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[4-(2-methoxyethoxy)-4-methylpentan-2-yl]oxymethyl]oxirane?
The canonical SMILES for 2-[[4-(2-methoxyethoxy)-4-methylpentan-2-yl]oxymethyl]oxirane is COCCOC(C)(C)CC(C)OCC1CO1.
What is the InChIKey of 2-[[4-(2-methoxyethoxy)-4-methylpentan-2-yl]oxymethyl]oxirane?
The InChIKey is BDFHPNJKAPULAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-10(14-8-11-9-15-11)7-12(2,3)16-6-5-13-4/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-[[4-(2-methoxyethoxy)-4-methylpentan-2-yl]oxymethyl]oxirane?
2-[[4-(2-methoxyethoxy)-4-methylpentan-2-yl]oxymethyl]oxirane has a molecular weight of 232.32 g/mol, XLogP of 1.62, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyethoxy)-4-methylpentan-2-yl]oxymethyl]oxirane is sourced from PubChem (CID 90774337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).