[6-[(4-phenylmethoxyphenyl)methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-phenylmethoxybenzoate

C34H32O8 — CID 20645977

IUPAC[6-[(4-phenylmethoxyphenyl)methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-phenylmethoxybenzoate
SMILESO=C(OC1COC2C(OOCc3ccc(OCc4ccccc4)cc3)COC12)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C34H32O8/c35-34(27-13-17-29(18-14-27)37-20-25-9-5-2-6-10-25)41-30-22-38-33-31(23-39-32(30)33)42-40-21-26-11-15-28(16-12-26)36-19-24-7-3-1-4-8-24/h1-18,30-33H,19-23H2
InChIKeyNYTDHAWJGXTTHA-UHFFFAOYSA-N
MW568.62 g/mol
LogP5.68
Rot. Bonds12

About [6-[(4-phenylmethoxyphenyl)methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-phenylmethoxybenzoate

[6-[(4-phenylmethoxyphenyl)methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-phenylmethoxybenzoate (PubChem CID 20645977) has the molecular formula C34H32O8 and a molecular weight of 568.62 g/mol. Its IUPAC name is [6-[(4-phenylmethoxyphenyl)methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-phenylmethoxybenzoate.

Molecular Properties

Compound Name[6-[(4-phenylmethoxyphenyl)methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-phenylmethoxybenzoate
PubChem CID20645977
Molecular FormulaC34H32O8
Molecular Weight568.62 g/mol
Exact Mass568.21
IUPAC Name[6-[(4-phenylmethoxyphenyl)methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-phenylmethoxybenzoate
SMILESO=C(OC1COC2C(OOCc3ccc(OCc4ccccc4)cc3)COC12)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C34H32O8/c35-34(27-13-17-29(18-14-27)37-20-25-9-5-2-6-10-25)41-30-22-38-33-31(23-39-32(30)33)42-40-21-26-11-15-28(16-12-26)36-19-24-7-3-1-4-8-24/h1-18,30-33H,19-23H2
InChIKeyNYTDHAWJGXTTHA-UHFFFAOYSA-N
XLogP5.68
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.62
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze [6-[(4-phenylmethoxyphenyl)methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-phenylmethoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-[(4-phenylmethoxyphenyl)methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-phenylmethoxybenzoate?
The IUPAC name of [6-[(4-phenylmethoxyphenyl)methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-phenylmethoxybenzoate (CID 20645977) is [6-[(4-phenylmethoxyphenyl)methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-phenylmethoxybenzoate.
What is the SMILES notation for [6-[(4-phenylmethoxyphenyl)methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-phenylmethoxybenzoate?
The canonical SMILES for [6-[(4-phenylmethoxyphenyl)methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-phenylmethoxybenzoate is O=C(OC1COC2C(OOCc3ccc(OCc4ccccc4)cc3)COC12)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [6-[(4-phenylmethoxyphenyl)methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-phenylmethoxybenzoate?
The InChIKey is NYTDHAWJGXTTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32O8/c35-34(27-13-17-29(18-14-27)37-20-25-9-5-2-6-10-25)41-30-22-38-33-31(23-39-32(30)33)42-40-21-26-11-15-28(16-12-26)36-19-24-7-3-1-4-8-24/h1-18,30-33H,19-23H2.
What are the key properties of [6-[(4-phenylmethoxyphenyl)methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-phenylmethoxybenzoate?
[6-[(4-phenylmethoxyphenyl)methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-phenylmethoxybenzoate has a molecular weight of 568.62 g/mol, XLogP of 5.68, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-phenylmethoxyphenyl)methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-phenylmethoxybenzoate is sourced from PubChem (CID 20645977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).