2-[[2,5-dimethyl-4-(oxiran-2-ylmethoxymethyl)hexoxy]methyl]oxirane

C15H28O4 — CID 57060405

IUPAC2-[[2,5-dimethyl-4-(oxiran-2-ylmethoxymethyl)hexoxy]methyl]oxirane
SMILESCC(COCC1CO1)CC(COCC1CO1)C(C)C
InChIInChI=1S/C15H28O4/c1-11(2)13(6-17-8-15-10-19-15)4-12(3)5-16-7-14-9-18-14/h11-15H,4-10H2,1-3H3
InChIKeyPDJJOGOBFSHJLJ-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.12
Rot. Bonds11

About 2-[[2,5-dimethyl-4-(oxiran-2-ylmethoxymethyl)hexoxy]methyl]oxirane

2-[[2,5-dimethyl-4-(oxiran-2-ylmethoxymethyl)hexoxy]methyl]oxirane (PubChem CID 57060405) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is 2-[[2,5-dimethyl-4-(oxiran-2-ylmethoxymethyl)hexoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2,5-dimethyl-4-(oxiran-2-ylmethoxymethyl)hexoxy]methyl]oxirane
PubChem CID57060405
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name2-[[2,5-dimethyl-4-(oxiran-2-ylmethoxymethyl)hexoxy]methyl]oxirane
SMILESCC(COCC1CO1)CC(COCC1CO1)C(C)C
InChIInChI=1S/C15H28O4/c1-11(2)13(6-17-8-15-10-19-15)4-12(3)5-16-7-14-9-18-14/h11-15H,4-10H2,1-3H3
InChIKeyPDJJOGOBFSHJLJ-UHFFFAOYSA-N
XLogP2.12
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2,6,10-trimethyl-11-(oxiran-2-ylmethoxy)undecoxy]methyl]oxirane
CID 142609718
(2S)-2-[[(2S)-2-[(2R)-1-[[(2S)-oxiran-2-yl]methoxy]propan-2-yl]oxypropoxy]methyl]oxirane
CID 97031068
methoxy-dimethyl-[2-methyl-3-(oxiran-2-ylmethoxy)propyl]silane
CID 87766586
2-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(oxiran-2-ylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxymethyl]oxirane
CID 177277165
2-[3-(2-methylbutoxy)propoxymethyl]oxirane
CID 167130751
(2S)-2-[[1-(oxiran-2-ylmethoxy)-3-[[(2R)-oxiran-2-yl]methoxy]propan-2-yl]oxymethyl]oxirane
CID 155237775
(2S)-2-[[1-[[(2S)-oxiran-2-yl]methoxy]-3-[[(2R)-oxiran-2-yl]methoxy]propan-2-yl]oxymethyl]oxirane
CID 76966856
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
2-[[2-(bromomethyl)-3-methylbutoxy]methyl]oxane
CID 65012227
2-(9-methylundecoxymethyl)oxirane
CID 167130784
bis(2-methylpropoxy)-[4-(oxiran-2-ylmethoxy)butoxy]silane
CID 174155856
1-ethenoxy-2-methylpropane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174399004

Frequently Asked Questions

What is the IUPAC name of 2-[[2,5-dimethyl-4-(oxiran-2-ylmethoxymethyl)hexoxy]methyl]oxirane?
The IUPAC name of 2-[[2,5-dimethyl-4-(oxiran-2-ylmethoxymethyl)hexoxy]methyl]oxirane (CID 57060405) is 2-[[2,5-dimethyl-4-(oxiran-2-ylmethoxymethyl)hexoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2,5-dimethyl-4-(oxiran-2-ylmethoxymethyl)hexoxy]methyl]oxirane?
The canonical SMILES for 2-[[2,5-dimethyl-4-(oxiran-2-ylmethoxymethyl)hexoxy]methyl]oxirane is CC(COCC1CO1)CC(COCC1CO1)C(C)C.
What is the InChIKey of 2-[[2,5-dimethyl-4-(oxiran-2-ylmethoxymethyl)hexoxy]methyl]oxirane?
The InChIKey is PDJJOGOBFSHJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-11(2)13(6-17-8-15-10-19-15)4-12(3)5-16-7-14-9-18-14/h11-15H,4-10H2,1-3H3.
What are the key properties of 2-[[2,5-dimethyl-4-(oxiran-2-ylmethoxymethyl)hexoxy]methyl]oxirane?
2-[[2,5-dimethyl-4-(oxiran-2-ylmethoxymethyl)hexoxy]methyl]oxirane has a molecular weight of 272.38 g/mol, XLogP of 2.12, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,5-dimethyl-4-(oxiran-2-ylmethoxymethyl)hexoxy]methyl]oxirane is sourced from PubChem (CID 57060405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).