4-[[86-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-1,6,11,16,21,26,31,36,41,46,51,56,61,66,71,76,81-heptadecaoxacyclononaoctacont-85-yl]oxymethyl]-1,3-dioxolan-2-one

C80H152O25 — CID 101034303

IUPAC4-[[86-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-1,6,11,16,21,26,31,36,41,46,51,56,61,66,71,76,81-heptadecaoxacyclononaoctacont-85-yl]oxymethyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(COC2CCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCC2OCC2COC(=O)O2)O1
InChIInChI=1S/C80H152O25/c81-79-102-73-75(104-79)71-100-77-35-33-69-98-67-31-29-65-96-63-27-25-61-94-59-23-21-57-92-55-19-17-53-90-51-15-13-49-88-47-11-9-45-86-43-7-5-41-84-39-3-1-37-83-38-2-4-40-85-42-6-8-44-87-46-10-12-48-89-50-14-16-52-91-54-18-20-56-93-58-22-24-60-95-62-26-28-64-97-66-30-32-68-99-70-34-36-78(77)101-72-76-74-103-80(82)105-76/h75-78H,1-74H2
InChIKeySCRGUBVKCQNGAV-UHFFFAOYSA-N
MW1514.07 g/mol
LogP14.17
Rot. Bonds6

About 4-[[86-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-1,6,11,16,21,26,31,36,41,46,51,56,61,66,71,76,81-heptadecaoxacyclononaoctacont-85-yl]oxymethyl]-1,3-dioxolan-2-one

4-[[86-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-1,6,11,16,21,26,31,36,41,46,51,56,61,66,71,76,81-heptadecaoxacyclononaoctacont-85-yl]oxymethyl]-1,3-dioxolan-2-one (PubChem CID 101034303) has the molecular formula C80H152O25 and a molecular weight of 1514.07 g/mol. Its IUPAC name is 4-[[86-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-1,6,11,16,21,26,31,36,41,46,51,56,61,66,71,76,81-heptadecaoxacyclononaoctacont-85-yl]oxymethyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[[86-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-1,6,11,16,21,26,31,36,41,46,51,56,61,66,71,76,81-heptadecaoxacyclononaoctacont-85-yl]oxymethyl]-1,3-dioxolan-2-one
PubChem CID101034303
Molecular FormulaC80H152O25
Molecular Weight1514.07 g/mol
Exact Mass1513.06
IUPAC Name4-[[86-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-1,6,11,16,21,26,31,36,41,46,51,56,61,66,71,76,81-heptadecaoxacyclononaoctacont-85-yl]oxymethyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(COC2CCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCC2OCC2COC(=O)O2)O1
InChIInChI=1S/C80H152O25/c81-79-102-73-75(104-79)71-100-77-35-33-69-98-67-31-29-65-96-63-27-25-61-94-59-23-21-57-92-55-19-17-53-90-51-15-13-49-88-47-11-9-45-86-43-7-5-41-84-39-3-1-37-83-38-2-4-40-85-42-6-8-44-87-46-10-12-48-89-50-14-16-52-91-54-18-20-56-93-58-22-24-60-95-62-26-28-64-97-66-30-32-68-99-70-34-36-78(77)101-72-76-74-103-80(82)105-76/h75-78H,1-74H2
InChIKeySCRGUBVKCQNGAV-UHFFFAOYSA-N
XLogP14.17
TPSA246.43 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds6
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001514.07
LogP ≤ 514.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 4-[[86-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-1,6,11,16,21,26,31,36,41,46,51,56,61,66,71,76,81-heptadecaoxacyclononaoctacont-85-yl]oxymethyl]-1,3-dioxolan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[86-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-1,6,11,16,21,26,31,36,41,46,51,56,61,66,71,76,81-heptadecaoxacyclononaoctacont-85-yl]oxymethyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[[86-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-1,6,11,16,21,26,31,36,41,46,51,56,61,66,71,76,81-heptadecaoxacyclononaoctacont-85-yl]oxymethyl]-1,3-dioxolan-2-one (CID 101034303) is 4-[[86-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-1,6,11,16,21,26,31,36,41,46,51,56,61,66,71,76,81-heptadecaoxacyclononaoctacont-85-yl]oxymethyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[[86-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-1,6,11,16,21,26,31,36,41,46,51,56,61,66,71,76,81-heptadecaoxacyclononaoctacont-85-yl]oxymethyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[[86-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-1,6,11,16,21,26,31,36,41,46,51,56,61,66,71,76,81-heptadecaoxacyclononaoctacont-85-yl]oxymethyl]-1,3-dioxolan-2-one is O=C1OCC(COC2CCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCC2OCC2COC(=O)O2)O1.
What is the InChIKey of 4-[[86-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-1,6,11,16,21,26,31,36,41,46,51,56,61,66,71,76,81-heptadecaoxacyclononaoctacont-85-yl]oxymethyl]-1,3-dioxolan-2-one?
The InChIKey is SCRGUBVKCQNGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H152O25/c81-79-102-73-75(104-79)71-100-77-35-33-69-98-67-31-29-65-96-63-27-25-61-94-59-23-21-57-92-55-19-17-53-90-51-15-13-49-88-47-11-9-45-86-43-7-5-41-84-39-3-1-37-83-38-2-4-40-85-42-6-8-44-87-46-10-12-48-89-50-14-16-52-91-54-18-20-56-93-58-22-24-60-95-62-26-28-64-97-66-30-32-68-99-70-34-36-78(77)101-72-76-74-103-80(82)105-76/h75-78H,1-74H2.
What are the key properties of 4-[[86-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-1,6,11,16,21,26,31,36,41,46,51,56,61,66,71,76,81-heptadecaoxacyclononaoctacont-85-yl]oxymethyl]-1,3-dioxolan-2-one?
4-[[86-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-1,6,11,16,21,26,31,36,41,46,51,56,61,66,71,76,81-heptadecaoxacyclononaoctacont-85-yl]oxymethyl]-1,3-dioxolan-2-one has a molecular weight of 1514.07 g/mol, XLogP of 14.17, 6 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[86-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-1,6,11,16,21,26,31,36,41,46,51,56,61,66,71,76,81-heptadecaoxacyclononaoctacont-85-yl]oxymethyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 101034303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).