[4-fluoro-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate

C54H57FO10 — CID 134221746

IUPAC[4-fluoro-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate
SMILESCC(=O)CCC(=O)OC1C(COCc2ccccc2)OC(OCC(OCc2ccccc2)C(OCc2ccccc2)C(COCc2ccc3ccccc3c2)OCc2ccccc2)C1F
InChIInChI=1S/C54H57FO10/c1-39(56)26-29-50(57)65-53-49(37-58-31-40-16-6-2-7-17-40)64-54(51(53)55)63-38-48(61-34-42-20-10-4-11-21-42)52(62-35-43-22-12-5-13-23-43)47(60-33-41-18-8-3-9-19-41)36-59-32-44-27-28-45-24-14-15-25-46(45)30-44/h2-25,27-28,30,47-49,51-54H,26,29,31-38H2,1H3
InChIKeyGLUJEIORQDGEGR-UHFFFAOYSA-N
MW885.04 g/mol
LogP9.69
Rot. Bonds26

About [4-fluoro-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate

[4-fluoro-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate (PubChem CID 134221746) has the molecular formula C54H57FO10 and a molecular weight of 885.04 g/mol. Its IUPAC name is [4-fluoro-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate.

Molecular Properties

Compound Name[4-fluoro-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate
PubChem CID134221746
Molecular FormulaC54H57FO10
Molecular Weight885.04 g/mol
Exact Mass884.39
IUPAC Name[4-fluoro-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate
SMILESCC(=O)CCC(=O)OC1C(COCc2ccccc2)OC(OCC(OCc2ccccc2)C(OCc2ccccc2)C(COCc2ccc3ccccc3c2)OCc2ccccc2)C1F
InChIInChI=1S/C54H57FO10/c1-39(56)26-29-50(57)65-53-49(37-58-31-40-16-6-2-7-17-40)64-54(51(53)55)63-38-48(61-34-42-20-10-4-11-21-42)52(62-35-43-22-12-5-13-23-43)47(60-33-41-18-8-3-9-19-41)36-59-32-44-27-28-45-24-14-15-25-46(45)30-44/h2-25,27-28,30,47-49,51-54H,26,29,31-38H2,1H3
InChIKeyGLUJEIORQDGEGR-UHFFFAOYSA-N
XLogP9.69
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds26
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.04
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate?
The IUPAC name of [4-fluoro-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate (CID 134221746) is [4-fluoro-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate.
What is the SMILES notation for [4-fluoro-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate?
The canonical SMILES for [4-fluoro-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate is CC(=O)CCC(=O)OC1C(COCc2ccccc2)OC(OCC(OCc2ccccc2)C(OCc2ccccc2)C(COCc2ccc3ccccc3c2)OCc2ccccc2)C1F.
What is the InChIKey of [4-fluoro-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate?
The InChIKey is GLUJEIORQDGEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H57FO10/c1-39(56)26-29-50(57)65-53-49(37-58-31-40-16-6-2-7-17-40)64-54(51(53)55)63-38-48(61-34-42-20-10-4-11-21-42)52(62-35-43-22-12-5-13-23-43)47(60-33-41-18-8-3-9-19-41)36-59-32-44-27-28-45-24-14-15-25-46(45)30-44/h2-25,27-28,30,47-49,51-54H,26,29,31-38H2,1H3.
What are the key properties of [4-fluoro-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate?
[4-fluoro-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate has a molecular weight of 885.04 g/mol, XLogP of 9.69, 26 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate is sourced from PubChem (CID 134221746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).