bis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;methane;1-methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane;tetrakis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] butane-1,2,3,4-tetracarboxylate

C104H204O33 — CID 164983520

IUPACbis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;methane;1-methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane;tetrakis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] butane-1,2,3,4-tetracarboxylate
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC1(C2CCC3(C)OC3C2)CO1.O=C(COC(=O)C1CC2OC2CC1C(=O)OCC(=O)OCC1CCC2OC2C1)OCC1CCC2OC2C1.O=C(COC(=O)CC(C(=O)OCC(=O)OCC1CCC2OC2C1)C(CC(=O)OCC(=O)OCC1CCC2OC2C1)C(=O)OCC(=O)OCC1CCC2OC2C1)OCC1CCC2OC2C1
InChIInChI=1S/C44H58O20.C26H34O11.C10H16O2.24CH4/c45-37(57-19-39(47)53-15-23-1-5-29-33(9-23)61-29)13-27(43(51)59-21-41(49)55-17-25-3-7-31-35(11-25)63-31)28(44(52)60-22-42(50)56-18-26-4-8-32-36(12-26)64-32)14-38(46)58-20-40(48)54-16-24-2-6-30-34(10-24)62-30;27-23(31-9-13-1-3-17-19(5-13)35-17)11-33-25(29)15-7-21-22(37-21)8-16(15)26(30)34-12-24(28)32-10-14-2-4-18-20(6-14)36-18;1-9-4-3-7(5-8(9)12-9)10(2)6-11-10;;;;;;;;;;;;;;;;;;;;;;;;/h23-36H,1-22H2;13-22H,1-12H2;7-8H,3-6H2,1-2H3;24*1H4
InChIKeyFVFQPQLEYIHSMW-UHFFFAOYSA-N
MW1982.74 g/mol
LogP19.70
Rot. Bonds34

About bis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;methane;1-methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane;tetrakis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] butane-1,2,3,4-tetracarboxylate

bis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;methane;1-methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane;tetrakis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] butane-1,2,3,4-tetracarboxylate (PubChem CID 164983520) has the molecular formula C104H204O33 and a molecular weight of 1982.74 g/mol. Its IUPAC name is bis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;methane;1-methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane;tetrakis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] butane-1,2,3,4-tetracarboxylate.

Molecular Properties

Compound Namebis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;methane;1-methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane;tetrakis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] butane-1,2,3,4-tetracarboxylate
PubChem CID164983520
Molecular FormulaC104H204O33
Molecular Weight1982.74 g/mol
Exact Mass1981.43
IUPAC Namebis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;methane;1-methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane;tetrakis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] butane-1,2,3,4-tetracarboxylate
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC1(C2CCC3(C)OC3C2)CO1.O=C(COC(=O)C1CC2OC2CC1C(=O)OCC(=O)OCC1CCC2OC2C1)OCC1CCC2OC2C1.O=C(COC(=O)CC(C(=O)OCC(=O)OCC1CCC2OC2C1)C(CC(=O)OCC(=O)OCC1CCC2OC2C1)C(=O)OCC(=O)OCC1CCC2OC2C1)OCC1CCC2OC2C1
InChIInChI=1S/C44H58O20.C26H34O11.C10H16O2.24CH4/c45-37(57-19-39(47)53-15-23-1-5-29-33(9-23)61-29)13-27(43(51)59-21-41(49)55-17-25-3-7-31-35(11-25)63-31)28(44(52)60-22-42(50)56-18-26-4-8-32-36(12-26)64-32)14-38(46)58-20-40(48)54-16-24-2-6-30-34(10-24)62-30;27-23(31-9-13-1-3-17-19(5-13)35-17)11-33-25(29)15-7-21-22(37-21)8-16(15)26(30)34-12-24(28)32-10-14-2-4-18-20(6-14)36-18;1-9-4-3-7(5-8(9)12-9)10(2)6-11-10;;;;;;;;;;;;;;;;;;;;;;;;/h23-36H,1-22H2;13-22H,1-12H2;7-8H,3-6H2,1-2H3;24*1H4
InChIKeyFVFQPQLEYIHSMW-UHFFFAOYSA-N
XLogP19.70
TPSA428.37 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds34
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001982.74
LogP ≤ 519.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze bis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;methane;1-methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane;tetrakis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] butane-1,2,3,4-tetracarboxylate 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

tetrakis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] pentane-1,2,3,5-tetracarboxylate
CID 140922087
1-O,2-O-bis[7-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-7-oxoheptyl] 3-O,4-O-bis[6-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-6-oxohexyl] butane-1,2,3,4-tetracarboxylate;bis[6-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-6-oxohexyl] 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
CID 158416266
3-O-[[(1S)-6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]methyl] 1-O-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] propanedioate
CID 89141397
bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] hexanedioate
CID 58908108
7-oxabicyclo[4.1.0]heptan-3-ylmethyl 3,4,4-trimethylpentanoate
CID 118260475
[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] 3,4-diformyl-6-oxohexanoate
CID 162699890
7-oxabicyclo[4.1.0]heptan-3-ylmethyl 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propanoate
CID 59936733
7-oxabicyclo[4.1.0]heptan-3-ylmethyl 2-hydroxyacetate
CID 59330504
(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 5-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-3-oxopentanoate
CID 143221226
2-O-[6-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-6-oxohexyl] 4-O-(6-oxabicyclo[3.1.1]heptan-3-ylmethyl) 1-O,3-O-bis(7-oxabicyclo[4.1.0]heptan-3-ylmethyl) butane-1,2,3,4-tetracarboxylate
CID 167292587
[(3R)-7-oxabicyclo[4.1.0]heptan-3-yl]methyl (3S)-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 166762136
1-O-[[(1R,3R,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]methyl] 6-O-[[(1R,3S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]methyl] hexanedioate
CID 98097153

Frequently Asked Questions

What is the IUPAC name of bis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;methane;1-methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane;tetrakis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] butane-1,2,3,4-tetracarboxylate?
The IUPAC name of bis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;methane;1-methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane;tetrakis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] butane-1,2,3,4-tetracarboxylate (CID 164983520) is bis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;methane;1-methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane;tetrakis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] butane-1,2,3,4-tetracarboxylate.
What is the SMILES notation for bis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;methane;1-methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane;tetrakis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] butane-1,2,3,4-tetracarboxylate?
The canonical SMILES for bis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;methane;1-methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane;tetrakis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] butane-1,2,3,4-tetracarboxylate is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC1(C2CCC3(C)OC3C2)CO1.O=C(COC(=O)C1CC2OC2CC1C(=O)OCC(=O)OCC1CCC2OC2C1)OCC1CCC2OC2C1.O=C(COC(=O)CC(C(=O)OCC(=O)OCC1CCC2OC2C1)C(CC(=O)OCC(=O)OCC1CCC2OC2C1)C(=O)OCC(=O)OCC1CCC2OC2C1)OCC1CCC2OC2C1.
What is the InChIKey of bis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;methane;1-methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane;tetrakis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] butane-1,2,3,4-tetracarboxylate?
The InChIKey is FVFQPQLEYIHSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H58O20.C26H34O11.C10H16O2.24CH4/c45-37(57-19-39(47)53-15-23-1-5-29-33(9-23)61-29)13-27(43(51)59-21-41(49)55-17-25-3-7-31-35(11-25)63-31)28(44(52)60-22-42(50)56-18-26-4-8-32-36(12-26)64-32)14-38(46)58-20-40(48)54-16-24-2-6-30-34(10-24)62-30;27-23(31-9-13-1-3-17-19(5-13)35-17)11-33-25(29)15-7-21-22(37-21)8-16(15)26(30)34-12-24(28)32-10-14-2-4-18-20(6-14)36-18;1-9-4-3-7(5-8(9)12-9)10(2)6-11-10;;;;;;;;;;;;;;;;;;;;;;;;/h23-36H,1-22H2;13-22H,1-12H2;7-8H,3-6H2,1-2H3;24*1H4.
What are the key properties of bis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;methane;1-methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane;tetrakis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] butane-1,2,3,4-tetracarboxylate?
bis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;methane;1-methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane;tetrakis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] butane-1,2,3,4-tetracarboxylate has a molecular weight of 1982.74 g/mol, XLogP of 19.70, 34 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;methane;1-methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane;tetrakis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] butane-1,2,3,4-tetracarboxylate is sourced from PubChem (CID 164983520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).