6-[4-(oxiran-2-ylmethoxy)benzoyl]oxyhexyl 4-(oxiran-2-ylmethoxy)benzoate

C26H30O8 — CID 102495906

IUPAC6-[4-(oxiran-2-ylmethoxy)benzoyl]oxyhexyl 4-(oxiran-2-ylmethoxy)benzoate
SMILESO=C(OCCCCCCOC(=O)c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1
InChIInChI=1S/C26H30O8/c27-25(19-5-9-21(10-6-19)31-15-23-17-33-23)29-13-3-1-2-4-14-30-26(28)20-7-11-22(12-8-20)32-16-24-18-34-24/h5-12,23-24H,1-4,13-18H2
InChIKeyUSBPMGVGWRLLAX-UHFFFAOYSA-N
MW470.52 g/mol
LogP3.82
Rot. Bonds15

About 6-[4-(oxiran-2-ylmethoxy)benzoyl]oxyhexyl 4-(oxiran-2-ylmethoxy)benzoate

6-[4-(oxiran-2-ylmethoxy)benzoyl]oxyhexyl 4-(oxiran-2-ylmethoxy)benzoate (PubChem CID 102495906) has the molecular formula C26H30O8 and a molecular weight of 470.52 g/mol. Its IUPAC name is 6-[4-(oxiran-2-ylmethoxy)benzoyl]oxyhexyl 4-(oxiran-2-ylmethoxy)benzoate.

Molecular Properties

Compound Name6-[4-(oxiran-2-ylmethoxy)benzoyl]oxyhexyl 4-(oxiran-2-ylmethoxy)benzoate
PubChem CID102495906
Molecular FormulaC26H30O8
Molecular Weight470.52 g/mol
Exact Mass470.19
IUPAC Name6-[4-(oxiran-2-ylmethoxy)benzoyl]oxyhexyl 4-(oxiran-2-ylmethoxy)benzoate
SMILESO=C(OCCCCCCOC(=O)c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1
InChIInChI=1S/C26H30O8/c27-25(19-5-9-21(10-6-19)31-15-23-17-33-23)29-13-3-1-2-4-14-30-26(28)20-7-11-22(12-8-20)32-16-24-18-34-24/h5-12,23-24H,1-4,13-18H2
InChIKeyUSBPMGVGWRLLAX-UHFFFAOYSA-N
XLogP3.82
TPSA96.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.52
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 6-[4-(oxiran-2-ylmethoxy)benzoyl]oxyhexyl 4-(oxiran-2-ylmethoxy)benzoate with MolForge

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

Launch Full Analysis

Related Compounds

5-[6-[6-(oxiran-2-ylmethoxy)naphthalene-2-carbonyl]oxynaphthalene-2-carbonyl]oxypentyl 6-[6-(oxiran-2-ylmethoxy)naphthalene-2-carbonyl]oxynaphthalene-2-carboxylate
CID 164792062
cyclopropylmethyl 4-(oxiran-2-ylmethoxy)benzoate
CID 159138590
3-[4-[[4-(oxiran-2-ylmethoxy)phenyl]iminomethyl]benzoyl]oxypropyl 4-[[4-(oxiran-2-ylmethoxy)phenyl]iminomethyl]benzoate
CID 101120130
bis[4-(oxiran-2-ylmethoxy)phenyl] benzene-1,4-dicarboxylate
CID 101169143
tetradecyl 2,5-bis[[4-(oxiran-2-ylmethoxy)benzoyl]oxy]benzoate
CID 102253340
pentadecyl 2,5-bis[[4-(oxiran-2-ylmethoxy)benzoyl]oxy]benzoate
CID 102253334
2,2-bis[[4-(oxiran-2-ylmethoxy)benzoyl]oxymethyl]butyl 4-(oxiran-2-ylmethoxy)benzoate
CID 102495905
[6-[4-(oxiran-2-ylmethoxy)benzoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-(oxiran-2-ylmethoxy)benzoate
CID 59318800
oxiran-2-ylmethyl 4-[4-(oxiran-2-ylmethoxycarbonyl)phenoxy]benzoate
CID 56615855
oxiran-2-ylmethyl 4-[tris[4-(oxiran-2-ylmethoxycarbonyl)phenoxy]methoxy]benzoate
CID 162487974
2-[2-[2-[4-[[4-(oxiran-2-ylmethoxy)phenyl]iminomethyl]benzoyl]oxyethoxy]ethoxy]ethyl 4-[[4-(oxiran-2-ylmethoxy)phenyl]iminomethyl]benzoate
CID 101238916
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176

Frequently Asked Questions

What is the IUPAC name of 6-[4-(oxiran-2-ylmethoxy)benzoyl]oxyhexyl 4-(oxiran-2-ylmethoxy)benzoate?
The IUPAC name of 6-[4-(oxiran-2-ylmethoxy)benzoyl]oxyhexyl 4-(oxiran-2-ylmethoxy)benzoate (CID 102495906) is 6-[4-(oxiran-2-ylmethoxy)benzoyl]oxyhexyl 4-(oxiran-2-ylmethoxy)benzoate.
What is the SMILES notation for 6-[4-(oxiran-2-ylmethoxy)benzoyl]oxyhexyl 4-(oxiran-2-ylmethoxy)benzoate?
The canonical SMILES for 6-[4-(oxiran-2-ylmethoxy)benzoyl]oxyhexyl 4-(oxiran-2-ylmethoxy)benzoate is O=C(OCCCCCCOC(=O)c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1.
What is the InChIKey of 6-[4-(oxiran-2-ylmethoxy)benzoyl]oxyhexyl 4-(oxiran-2-ylmethoxy)benzoate?
The InChIKey is USBPMGVGWRLLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O8/c27-25(19-5-9-21(10-6-19)31-15-23-17-33-23)29-13-3-1-2-4-14-30-26(28)20-7-11-22(12-8-20)32-16-24-18-34-24/h5-12,23-24H,1-4,13-18H2.
What are the key properties of 6-[4-(oxiran-2-ylmethoxy)benzoyl]oxyhexyl 4-(oxiran-2-ylmethoxy)benzoate?
6-[4-(oxiran-2-ylmethoxy)benzoyl]oxyhexyl 4-(oxiran-2-ylmethoxy)benzoate has a molecular weight of 470.52 g/mol, XLogP of 3.82, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(oxiran-2-ylmethoxy)benzoyl]oxyhexyl 4-(oxiran-2-ylmethoxy)benzoate is sourced from PubChem (CID 102495906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).