cyclohexane;1-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]-3-ethoxypropan-2-ol;2-(ethoxymethyl)oxirane

C24H48O7 — CID 158042815

IUPACcyclohexane;1-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]-3-ethoxypropan-2-ol;2-(ethoxymethyl)oxirane
SMILESC1CCCCC1.CCOCC(O)COCC(C)(C)COCC1CO1.CCOCC1CO1
InChIInChI=1S/C13H26O5.C6H12.C5H10O2/c1-4-15-5-11(14)6-16-9-13(2,3)10-17-7-12-8-18-12;1-2-4-6-5-3-1;1-2-6-3-5-4-7-5/h11-12,14H,4-10H2,1-3H3;1-6H2;5H,2-4H2,1H3
InChIKeyFIOCCXZSSJGDBE-UHFFFAOYSA-N
MW448.64 g/mol
LogP3.60
Rot. Bonds14

About cyclohexane;1-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]-3-ethoxypropan-2-ol;2-(ethoxymethyl)oxirane

cyclohexane;1-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]-3-ethoxypropan-2-ol;2-(ethoxymethyl)oxirane (PubChem CID 158042815) has the molecular formula C24H48O7 and a molecular weight of 448.64 g/mol. Its IUPAC name is cyclohexane;1-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]-3-ethoxypropan-2-ol;2-(ethoxymethyl)oxirane.

Molecular Properties

Compound Namecyclohexane;1-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]-3-ethoxypropan-2-ol;2-(ethoxymethyl)oxirane
PubChem CID158042815
Molecular FormulaC24H48O7
Molecular Weight448.64 g/mol
Exact Mass448.34
IUPAC Namecyclohexane;1-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]-3-ethoxypropan-2-ol;2-(ethoxymethyl)oxirane
SMILESC1CCCCC1.CCOCC(O)COCC(C)(C)COCC1CO1.CCOCC1CO1
InChIInChI=1S/C13H26O5.C6H12.C5H10O2/c1-4-15-5-11(14)6-16-9-13(2,3)10-17-7-12-8-18-12;1-2-4-6-5-3-1;1-2-6-3-5-4-7-5/h11-12,14H,4-10H2,1-3H3;1-6H2;5H,2-4H2,1H3
InChIKeyFIOCCXZSSJGDBE-UHFFFAOYSA-N
XLogP3.60
TPSA82.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.64
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethoxyethane;2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2-diol
CID 146198033
3-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]propan-1-ol
CID 118319216
2-methoxy-1-[2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]ethanol
CID 118461097
1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol
CID 58856737
1-(oxiran-2-ylmethoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol
CID 139989474
1-(2-amino-2-methylpropoxy)-3-ethoxypropan-2-ol
CID 106939938
1-[2-[(2-hydroxy-3-morpholin-4-ylpropoxy)methyl]-2-(oxiran-2-ylmethoxymethyl)butoxy]-3-morpholin-4-ylpropan-2-ol
CID 58991248
1-methoxy-3-[4-(oxiran-2-ylmethoxy)butoxy]propan-2-ol;2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane
CID 162098827
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[[3-[2,2-bis[[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-hydroxypropoxy]methyl]butoxy]-2-hydroxypropyl]amino]-2-(hydroxymethyl)propane-1,3-diol;2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane
CID 162101956
1-aminooxy-3-[3-(3-aminooxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol
CID 142384045
1-chloro-3-(1-chloro-3-ethoxypropan-2-yl)oxy-2-methylpropane;1-chloro-3-ethoxypropan-2-ol;tetrakis(2-[(1-chloro-3-ethoxypropan-2-yl)oxymethyl]oxirane);pentakis(cyclohexane);tris(2-(ethoxymethyl)oxirane);3-ethoxypropane-1,2-diol;oxiran-2-ylmethanol
CID 162034039
1-diethylphosphoryloxy-3-[3-(3-diethylphosphoryloxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol
CID 169009446

Frequently Asked Questions

What is the IUPAC name of cyclohexane;1-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]-3-ethoxypropan-2-ol;2-(ethoxymethyl)oxirane?
The IUPAC name of cyclohexane;1-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]-3-ethoxypropan-2-ol;2-(ethoxymethyl)oxirane (CID 158042815) is cyclohexane;1-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]-3-ethoxypropan-2-ol;2-(ethoxymethyl)oxirane.
What is the SMILES notation for cyclohexane;1-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]-3-ethoxypropan-2-ol;2-(ethoxymethyl)oxirane?
The canonical SMILES for cyclohexane;1-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]-3-ethoxypropan-2-ol;2-(ethoxymethyl)oxirane is C1CCCCC1.CCOCC(O)COCC(C)(C)COCC1CO1.CCOCC1CO1.
What is the InChIKey of cyclohexane;1-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]-3-ethoxypropan-2-ol;2-(ethoxymethyl)oxirane?
The InChIKey is FIOCCXZSSJGDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5.C6H12.C5H10O2/c1-4-15-5-11(14)6-16-9-13(2,3)10-17-7-12-8-18-12;1-2-4-6-5-3-1;1-2-6-3-5-4-7-5/h11-12,14H,4-10H2,1-3H3;1-6H2;5H,2-4H2,1H3.
What are the key properties of cyclohexane;1-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]-3-ethoxypropan-2-ol;2-(ethoxymethyl)oxirane?
cyclohexane;1-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]-3-ethoxypropan-2-ol;2-(ethoxymethyl)oxirane has a molecular weight of 448.64 g/mol, XLogP of 3.60, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;1-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]-3-ethoxypropan-2-ol;2-(ethoxymethyl)oxirane is sourced from PubChem (CID 158042815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).