2-[[2,4-dimethyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane

C13H24O4 — CID 89152762

IUPAC2-[[2,4-dimethyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane
SMILESCC(C)(CC(C)(C)OCC1CO1)OCC1CO1
InChIInChI=1S/C13H24O4/c1-12(2,16-7-10-5-14-10)9-13(3,4)17-8-11-6-15-11/h10-11H,5-9H2,1-4H3
InChIKeyPDKJSNRUZLRBBH-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.76
Rot. Bonds8

About 2-[[2,4-dimethyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane

2-[[2,4-dimethyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane (PubChem CID 89152762) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[[2,4-dimethyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[2,4-dimethyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane
PubChem CID89152762
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name2-[[2,4-dimethyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane
SMILESCC(C)(CC(C)(C)OCC1CO1)OCC1CO1
InChIInChI=1S/C13H24O4/c1-12(2,16-7-10-5-14-10)9-13(3,4)17-8-11-6-15-11/h10-11H,5-9H2,1-4H3
InChIKeyPDKJSNRUZLRBBH-UHFFFAOYSA-N
XLogP1.76
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.76
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-(2,4,4,7,7,9,9-heptamethylundecan-2-yloxymethyl)oxirane
CID 123908896
2-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]oxirane
CID 123358235
1,1-bis(oxiran-2-ylmethoxy)butane-1,2,2,3,3-pentamine
CID 56622855
N-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxy-2-(oxiran-2-ylmethoxy)propan-2-amine
CID 134255520
2-[2-methyl-2-[3-methyl-3-(oxiran-2-ylmethoxy)butan-2-yl]oxypropyl]oxirane
CID 123361559
2,4-bis[2-(oxiran-2-ylmethoxy)propan-2-yl]oxetane;ethane;ethene
CID 155574162
2-(1,1-dimethoxypropoxymethyl)oxirane
CID 174508703
2-(1,1,2-trifluoropropoxymethyl)oxirane
CID 87368360
2-(hydroxymethyl)-2-(oxiran-2-ylmethoxy)butane-1,4-diol
CID 87482678
(2S)-2-[2-methyl-2-[2-methyl-1-[(2S)-oxiran-2-yl]propan-2-yl]oxypropyl]oxirane
CID 87603297
2-[2-methyl-2-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxypropyl]oxirane
CID 23618197
dimethoxymethane;bis(2-(methoxymethyl)oxirane)
CID 159900039

Frequently Asked Questions

What is the IUPAC name of 2-[[2,4-dimethyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane?
The IUPAC name of 2-[[2,4-dimethyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane (CID 89152762) is 2-[[2,4-dimethyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[2,4-dimethyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane?
The canonical SMILES for 2-[[2,4-dimethyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane is CC(C)(CC(C)(C)OCC1CO1)OCC1CO1.
What is the InChIKey of 2-[[2,4-dimethyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane?
The InChIKey is PDKJSNRUZLRBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-12(2,16-7-10-5-14-10)9-13(3,4)17-8-11-6-15-11/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-[[2,4-dimethyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane?
2-[[2,4-dimethyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane has a molecular weight of 244.33 g/mol, XLogP of 1.76, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,4-dimethyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane is sourced from PubChem (CID 89152762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).