4,5-dihydro-1,2-oxazole;hexakis(2,2-dimethylpropane);1,4-dioxane;1,3-dioxolane;oxane;oxetane;oxolane

C52H115NO8 — CID 158461217

IUPAC4,5-dihydro-1,2-oxazole;hexakis(2,2-dimethylpropane);1,4-dioxane;1,3-dioxolane;oxane;oxetane;oxolane
SMILESC1=NOCC1.C1CCOC1.C1CCOCC1.C1COC1.C1COCCO1.C1COCO1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C
InChIInChI=1S/C5H10O.6C5H12.C4H8O2.C4H8O.C3H5NO.C3H6O2.C3H6O/c1-2-4-6-5-3-1;6*1-5(2,3)4;1-2-6-4-3-5-1;2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-3-1/h1-5H2;6*1-4H3;1-4H2;1-4H2;2H,1,3H2;1-3H2;1-3H2
InChIKeyHFESJGBFFCNTSY-UHFFFAOYSA-N
MW882.49 g/mol
LogP15.12
Rot. Bonds

About 4,5-dihydro-1,2-oxazole;hexakis(2,2-dimethylpropane);1,4-dioxane;1,3-dioxolane;oxane;oxetane;oxolane

4,5-dihydro-1,2-oxazole;hexakis(2,2-dimethylpropane);1,4-dioxane;1,3-dioxolane;oxane;oxetane;oxolane (PubChem CID 158461217) has the molecular formula C52H115NO8 and a molecular weight of 882.49 g/mol. Its IUPAC name is 4,5-dihydro-1,2-oxazole;hexakis(2,2-dimethylpropane);1,4-dioxane;1,3-dioxolane;oxane;oxetane;oxolane.

Molecular Properties

Compound Name4,5-dihydro-1,2-oxazole;hexakis(2,2-dimethylpropane);1,4-dioxane;1,3-dioxolane;oxane;oxetane;oxolane
PubChem CID158461217
Molecular FormulaC52H115NO8
Molecular Weight882.49 g/mol
Exact Mass881.86
IUPAC Name4,5-dihydro-1,2-oxazole;hexakis(2,2-dimethylpropane);1,4-dioxane;1,3-dioxolane;oxane;oxetane;oxolane
SMILESC1=NOCC1.C1CCOC1.C1CCOCC1.C1COC1.C1COCCO1.C1COCO1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C
InChIInChI=1S/C5H10O.6C5H12.C4H8O2.C4H8O.C3H5NO.C3H6O2.C3H6O/c1-2-4-6-5-3-1;6*1-5(2,3)4;1-2-6-4-3-5-1;2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-3-1/h1-5H2;6*1-4H3;1-4H2;1-4H2;2H,1,3H2;1-3H2;1-3H2
InChIKeyHFESJGBFFCNTSY-UHFFFAOYSA-N
XLogP15.12
TPSA86.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.49
LogP ≤ 515.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

bis(4,5-dihydro-1,2-oxazole);ethane
CID 158840196
1,3,6-trioxacyclohexadecane
CID 139860202
cyclobutane;bis(cyclohexane);cyclopentane;cyclopropane;octakis(2,2-dimethylpropane);ethane;methane;oxane;oxetane;oxolane
CID 157109520
1,3-dioxolane;oxolane
CID 23437621
benzene;4,5-dihydro-1,2-oxazole
CID 174704929
cyclopentane;1,3-dioxane;ethane
CID 159634844
1,3-dioxacycloheptadecane
CID 54126867
1,4,7-trioxacyclotridecane
CID 118017817
1,2,5-trioxecane
CID 21461492
1,3,5,7-tetraoxecane
CID 172810218
cyclohexane;oxane
CID 20574508
oxane;oxepane;oxocane;oxolane
CID 159745968

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,2-oxazole;hexakis(2,2-dimethylpropane);1,4-dioxane;1,3-dioxolane;oxane;oxetane;oxolane?
The IUPAC name of 4,5-dihydro-1,2-oxazole;hexakis(2,2-dimethylpropane);1,4-dioxane;1,3-dioxolane;oxane;oxetane;oxolane (CID 158461217) is 4,5-dihydro-1,2-oxazole;hexakis(2,2-dimethylpropane);1,4-dioxane;1,3-dioxolane;oxane;oxetane;oxolane.
What is the SMILES notation for 4,5-dihydro-1,2-oxazole;hexakis(2,2-dimethylpropane);1,4-dioxane;1,3-dioxolane;oxane;oxetane;oxolane?
The canonical SMILES for 4,5-dihydro-1,2-oxazole;hexakis(2,2-dimethylpropane);1,4-dioxane;1,3-dioxolane;oxane;oxetane;oxolane is C1=NOCC1.C1CCOC1.C1CCOCC1.C1COC1.C1COCCO1.C1COCO1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.
What is the InChIKey of 4,5-dihydro-1,2-oxazole;hexakis(2,2-dimethylpropane);1,4-dioxane;1,3-dioxolane;oxane;oxetane;oxolane?
The InChIKey is HFESJGBFFCNTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.6C5H12.C4H8O2.C4H8O.C3H5NO.C3H6O2.C3H6O/c1-2-4-6-5-3-1;6*1-5(2,3)4;1-2-6-4-3-5-1;2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-3-1/h1-5H2;6*1-4H3;1-4H2;1-4H2;2H,1,3H2;1-3H2;1-3H2.
What are the key properties of 4,5-dihydro-1,2-oxazole;hexakis(2,2-dimethylpropane);1,4-dioxane;1,3-dioxolane;oxane;oxetane;oxolane?
4,5-dihydro-1,2-oxazole;hexakis(2,2-dimethylpropane);1,4-dioxane;1,3-dioxolane;oxane;oxetane;oxolane has a molecular weight of 882.49 g/mol, XLogP of 15.12, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,2-oxazole;hexakis(2,2-dimethylpropane);1,4-dioxane;1,3-dioxolane;oxane;oxetane;oxolane is sourced from PubChem (CID 158461217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).