1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-(oxiran-2-ylmethoxy)propan-2-ol;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-prop-2-enoxypropan-2-ol

C24H48O9 — CID 158605958

IUPAC1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-(oxiran-2-ylmethoxy)propan-2-ol;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)COCCOC(C)(C)C.CC(C)(C)OCCOCC(O)COCC1CO1
InChIInChI=1S/C12H24O5.C12H24O4/c1-12(2,3)17-5-4-14-6-10(13)7-15-8-11-9-16-11;1-5-6-14-9-11(13)10-15-7-8-16-12(2,3)4/h10-11,13H,4-9H2,1-3H3;5,11,13H,1,6-10H2,2-4H3
InChIKeyHWFNMLZQOACMMJ-UHFFFAOYSA-N
MW480.64 g/mol
LogP1.98
Rot. Bonds18

About 1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-(oxiran-2-ylmethoxy)propan-2-ol;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-prop-2-enoxypropan-2-ol

1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-(oxiran-2-ylmethoxy)propan-2-ol;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-prop-2-enoxypropan-2-ol (PubChem CID 158605958) has the molecular formula C24H48O9 and a molecular weight of 480.64 g/mol. Its IUPAC name is 1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-(oxiran-2-ylmethoxy)propan-2-ol;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-prop-2-enoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-(oxiran-2-ylmethoxy)propan-2-ol;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-prop-2-enoxypropan-2-ol
PubChem CID158605958
Molecular FormulaC24H48O9
Molecular Weight480.64 g/mol
Exact Mass480.33
IUPAC Name1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-(oxiran-2-ylmethoxy)propan-2-ol;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)COCCOC(C)(C)C.CC(C)(C)OCCOCC(O)COCC1CO1
InChIInChI=1S/C12H24O5.C12H24O4/c1-12(2,3)17-5-4-14-6-10(13)7-15-8-11-9-16-11;1-5-6-14-9-11(13)10-15-7-8-16-12(2,3)4/h10-11,13H,4-9H2,1-3H3;5,11,13H,1,6-10H2,2-4H3
InChIKeyHWFNMLZQOACMMJ-UHFFFAOYSA-N
XLogP1.98
TPSA108.37 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.64
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-(oxiran-2-ylmethoxy)propan-2-ol;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-prop-2-enoxypropan-2-ol 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

Ethane-1,2-diol--2-{[(prop-2-en-1-yl)oxy]methyl}oxirane (1/1)
CID 6451776
2-(Hydroxymethyl)-2-methylpropane-1,3-diol--2-{[(prop-2-en-1-yl)oxy]methyl}oxirane (1/1)
CID 44150359
1-[(2-Methylpropan-2-yl)oxy]-3-prop-2-enoxypropan-2-ol
CID 14493904
1,12-Dimethyl-6-(prop-2-enoxymethyl)-2,5,8,11,14,17,20,23-octaoxabicyclo[10.6.6]tetracosane
CID 10003795
1,12-Dimethyl-6-(prop-2-enoxymethyl)-2,5,8,11,14,17,20,23,26,29-decaoxabicyclo[10.9.9]triacontane
CID 21782160
1-[1-[1-[1-[1-[2-[2-[2-[2-[2-(2-Hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]-3-prop-2-enoxypropoxy]ethoxy]-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-ol
CID 102349883
1-[1-[1-[1-(1-Prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol
CID 10970113
3,6,9,12,15,19-Hexaoxadocos-21-ene-1,17-diol
CID 13123213
2-(2-Hydroxyethoxy)ethanol;2-(prop-2-enoxymethyl)oxirane
CID 22561281
2-[2-(2-Hydroxyethoxy)ethoxy]ethanol;2-(prop-2-enoxymethyl)oxirane
CID 22561283
1,3-Bis[1,3-bis(prop-2-enoxy)propan-2-yloxy]propan-2-ol
CID 49765698
2-[2-[2-[2-[2-(2-Prop-2-enoxypropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 53908884

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-(oxiran-2-ylmethoxy)propan-2-ol;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-prop-2-enoxypropan-2-ol?
The IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-(oxiran-2-ylmethoxy)propan-2-ol;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-prop-2-enoxypropan-2-ol (CID 158605958) is 1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-(oxiran-2-ylmethoxy)propan-2-ol;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-prop-2-enoxypropan-2-ol.
What is the SMILES notation for 1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-(oxiran-2-ylmethoxy)propan-2-ol;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-prop-2-enoxypropan-2-ol?
The canonical SMILES for 1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-(oxiran-2-ylmethoxy)propan-2-ol;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-prop-2-enoxypropan-2-ol is C=CCOCC(O)COCCOC(C)(C)C.CC(C)(C)OCCOCC(O)COCC1CO1.
What is the InChIKey of 1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-(oxiran-2-ylmethoxy)propan-2-ol;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-prop-2-enoxypropan-2-ol?
The InChIKey is HWFNMLZQOACMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5.C12H24O4/c1-12(2,3)17-5-4-14-6-10(13)7-15-8-11-9-16-11;1-5-6-14-9-11(13)10-15-7-8-16-12(2,3)4/h10-11,13H,4-9H2,1-3H3;5,11,13H,1,6-10H2,2-4H3.
What are the key properties of 1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-(oxiran-2-ylmethoxy)propan-2-ol;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-prop-2-enoxypropan-2-ol?
1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-(oxiran-2-ylmethoxy)propan-2-ol;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-prop-2-enoxypropan-2-ol has a molecular weight of 480.64 g/mol, XLogP of 1.98, 18 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-(oxiran-2-ylmethoxy)propan-2-ol;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-prop-2-enoxypropan-2-ol is sourced from PubChem (CID 158605958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).