2-(ethoxymethyl)oxirane;2-(2-ethylhexoxymethyl)oxirane;2-(methoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane;oxiran-2-ylmethyl 4-tert-butylbenzoate;oxiran-2-ylmethyl octadecanoate;2-(propan-2-yloxymethyl)oxirane

C68H124O16 — CID 158580537

IUPAC2-(ethoxymethyl)oxirane;2-(2-ethylhexoxymethyl)oxirane;2-(methoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane;oxiran-2-ylmethyl 4-tert-butylbenzoate;oxiran-2-ylmethyl octadecanoate;2-(propan-2-yloxymethyl)oxirane
SMILESCC(C)(C)OCC1CO1.CC(C)(C)c1ccc(C(=O)OCC2CO2)cc1.CC(C)OCC1CO1.CCCCC(CC)COCC1CO1.CCCCCCCCCCCCCCCCCC(=O)OCC1CO1.CCOCC1CO1.COCC1CO1
InChIInChI=1S/C21H40O3.C14H18O3.C11H22O2.C7H14O2.C6H12O2.C5H10O2.C4H8O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)24-19-20-18-23-20;1-14(2,3)11-6-4-10(5-7-11)13(15)17-9-12-8-16-12;1-3-5-6-10(4-2)7-12-8-11-9-13-11;1-7(2,3)9-5-6-4-8-6;1-5(2)7-3-6-4-8-6;1-2-6-3-5-4-7-5;1-5-2-4-3-6-4/h20H,2-19H2,1H3;4-7,12H,8-9H2,1-3H3;10-11H,3-9H2,1-2H3;6H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3;5H,2-4H2,1H3;4H,2-3H2,1H3
InChIKeyHTEWYPQFGQYHRM-UHFFFAOYSA-N
MW1197.72 g/mol
LogP13.81
Rot. Bonds39

About 2-(ethoxymethyl)oxirane;2-(2-ethylhexoxymethyl)oxirane;2-(methoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane;oxiran-2-ylmethyl 4-tert-butylbenzoate;oxiran-2-ylmethyl octadecanoate;2-(propan-2-yloxymethyl)oxirane

2-(ethoxymethyl)oxirane;2-(2-ethylhexoxymethyl)oxirane;2-(methoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane;oxiran-2-ylmethyl 4-tert-butylbenzoate;oxiran-2-ylmethyl octadecanoate;2-(propan-2-yloxymethyl)oxirane (PubChem CID 158580537) has the molecular formula C68H124O16 and a molecular weight of 1197.72 g/mol. Its IUPAC name is 2-(ethoxymethyl)oxirane;2-(2-ethylhexoxymethyl)oxirane;2-(methoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane;oxiran-2-ylmethyl 4-tert-butylbenzoate;oxiran-2-ylmethyl octadecanoate;2-(propan-2-yloxymethyl)oxirane.

Molecular Properties

Compound Name2-(ethoxymethyl)oxirane;2-(2-ethylhexoxymethyl)oxirane;2-(methoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane;oxiran-2-ylmethyl 4-tert-butylbenzoate;oxiran-2-ylmethyl octadecanoate;2-(propan-2-yloxymethyl)oxirane
PubChem CID158580537
Molecular FormulaC68H124O16
Molecular Weight1197.72 g/mol
Exact Mass1196.89
IUPAC Name2-(ethoxymethyl)oxirane;2-(2-ethylhexoxymethyl)oxirane;2-(methoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane;oxiran-2-ylmethyl 4-tert-butylbenzoate;oxiran-2-ylmethyl octadecanoate;2-(propan-2-yloxymethyl)oxirane
SMILESCC(C)(C)OCC1CO1.CC(C)(C)c1ccc(C(=O)OCC2CO2)cc1.CC(C)OCC1CO1.CCCCC(CC)COCC1CO1.CCCCCCCCCCCCCCCCCC(=O)OCC1CO1.CCOCC1CO1.COCC1CO1
InChIInChI=1S/C21H40O3.C14H18O3.C11H22O2.C7H14O2.C6H12O2.C5H10O2.C4H8O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)24-19-20-18-23-20;1-14(2,3)11-6-4-10(5-7-11)13(15)17-9-12-8-16-12;1-3-5-6-10(4-2)7-12-8-11-9-13-11;1-7(2,3)9-5-6-4-8-6;1-5(2)7-3-6-4-8-6;1-2-6-3-5-4-7-5;1-5-2-4-3-6-4/h20H,2-19H2,1H3;4-7,12H,8-9H2,1-3H3;10-11H,3-9H2,1-2H3;6H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3;5H,2-4H2,1H3;4H,2-3H2,1H3
InChIKeyHTEWYPQFGQYHRM-UHFFFAOYSA-N
XLogP13.81
TPSA186.46 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds39
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001197.72
LogP ≤ 513.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-(ethoxymethyl)oxirane;2-(2-ethylhexoxymethyl)oxirane;2-(methoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane;oxiran-2-ylmethyl 4-tert-butylbenzoate;oxiran-2-ylmethyl octadecanoate;2-(propan-2-yloxymethyl)oxirane with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-[[(2R)-2-ethylhexoxy]methyl]oxirane
CID 36688279
4-O-(11-amino-2-octyl-11-oxoundecyl) 1-O-(oxiran-2-ylmethyl) butanedioate
CID 88974314
(2-oxo-1,3-dioxolan-4-yl)methyl 4-[2,3-di(hexadecanoyloxy)propoxy-diphenylmethyl]benzoate
CID 89011642
bis[(2R)-2-ethylhexyl] nonanedioate
CID 25113357
bis(2-ethylhexyl) nonanedioate
CID 7642
oxiran-2-ylmethyl 4-(2,3,3-trimethylbutan-2-yl)benzoate
CID 143687856
bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate;bis(oxiran-2-ylmethyl) 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;2-(2-ethylhexoxymethyl)oxirane;2-ethyloxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)cyclohexyl]oxymethyl]oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxymethyl]oxirane
CID 160732118
2-ethylhexyl 9-(octadecanoyloxymethyl)octadecanoate
CID 146576807
2-ethylhexyl 9-ethyloctadecanoate
CID 166859369
2-ethylhexadecyl octadecanoate
CID 23363420
2-ethylundecyl nonanoate
CID 176969573
[(2R)-3-[(2R)-2-ethylhexoxy]-2-hydroxypropyl] hexadecanoate
CID 76968327

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)oxirane;2-(2-ethylhexoxymethyl)oxirane;2-(methoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane;oxiran-2-ylmethyl 4-tert-butylbenzoate;oxiran-2-ylmethyl octadecanoate;2-(propan-2-yloxymethyl)oxirane?
The IUPAC name of 2-(ethoxymethyl)oxirane;2-(2-ethylhexoxymethyl)oxirane;2-(methoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane;oxiran-2-ylmethyl 4-tert-butylbenzoate;oxiran-2-ylmethyl octadecanoate;2-(propan-2-yloxymethyl)oxirane (CID 158580537) is 2-(ethoxymethyl)oxirane;2-(2-ethylhexoxymethyl)oxirane;2-(methoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane;oxiran-2-ylmethyl 4-tert-butylbenzoate;oxiran-2-ylmethyl octadecanoate;2-(propan-2-yloxymethyl)oxirane.
What is the SMILES notation for 2-(ethoxymethyl)oxirane;2-(2-ethylhexoxymethyl)oxirane;2-(methoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane;oxiran-2-ylmethyl 4-tert-butylbenzoate;oxiran-2-ylmethyl octadecanoate;2-(propan-2-yloxymethyl)oxirane?
The canonical SMILES for 2-(ethoxymethyl)oxirane;2-(2-ethylhexoxymethyl)oxirane;2-(methoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane;oxiran-2-ylmethyl 4-tert-butylbenzoate;oxiran-2-ylmethyl octadecanoate;2-(propan-2-yloxymethyl)oxirane is CC(C)(C)OCC1CO1.CC(C)(C)c1ccc(C(=O)OCC2CO2)cc1.CC(C)OCC1CO1.CCCCC(CC)COCC1CO1.CCCCCCCCCCCCCCCCCC(=O)OCC1CO1.CCOCC1CO1.COCC1CO1.
What is the InChIKey of 2-(ethoxymethyl)oxirane;2-(2-ethylhexoxymethyl)oxirane;2-(methoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane;oxiran-2-ylmethyl 4-tert-butylbenzoate;oxiran-2-ylmethyl octadecanoate;2-(propan-2-yloxymethyl)oxirane?
The InChIKey is HTEWYPQFGQYHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O3.C14H18O3.C11H22O2.C7H14O2.C6H12O2.C5H10O2.C4H8O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)24-19-20-18-23-20;1-14(2,3)11-6-4-10(5-7-11)13(15)17-9-12-8-16-12;1-3-5-6-10(4-2)7-12-8-11-9-13-11;1-7(2,3)9-5-6-4-8-6;1-5(2)7-3-6-4-8-6;1-2-6-3-5-4-7-5;1-5-2-4-3-6-4/h20H,2-19H2,1H3;4-7,12H,8-9H2,1-3H3;10-11H,3-9H2,1-2H3;6H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3;5H,2-4H2,1H3;4H,2-3H2,1H3.
What are the key properties of 2-(ethoxymethyl)oxirane;2-(2-ethylhexoxymethyl)oxirane;2-(methoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane;oxiran-2-ylmethyl 4-tert-butylbenzoate;oxiran-2-ylmethyl octadecanoate;2-(propan-2-yloxymethyl)oxirane?
2-(ethoxymethyl)oxirane;2-(2-ethylhexoxymethyl)oxirane;2-(methoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane;oxiran-2-ylmethyl 4-tert-butylbenzoate;oxiran-2-ylmethyl octadecanoate;2-(propan-2-yloxymethyl)oxirane has a molecular weight of 1197.72 g/mol, XLogP of 13.81, 39 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)oxirane;2-(2-ethylhexoxymethyl)oxirane;2-(methoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane;oxiran-2-ylmethyl 4-tert-butylbenzoate;oxiran-2-ylmethyl octadecanoate;2-(propan-2-yloxymethyl)oxirane is sourced from PubChem (CID 158580537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).