methane;methyl 3-ethenyl-5-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-2-(formyloxymethyl)cyclopentane-1-carboxylate;methyl 5-ethenyl-2-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-4-(formyloxymethyl)oxolane-3-carboxylate

C45H62O17 — CID 157343102

IUPACmethane;methyl 3-ethenyl-5-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-2-(formyloxymethyl)cyclopentane-1-carboxylate;methyl 5-ethenyl-2-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-4-(formyloxymethyl)oxolane-3-carboxylate
SMILESC.C.C.C.C=CC1CC(C=CC2OC(C=C)C3C(=O)OC(=O)C23)C(C(=O)OC)C1COC=O.C=CC1OC(C=CC2OC(C=C)C3C(=O)OC(=O)C23)C(C(=O)OC)C1COC=O
InChIInChI=1S/C21H24O8.C20H22O9.4CH4/c1-4-11-8-12(16(19(23)26-3)13(11)9-27-10-22)6-7-15-18-17(14(5-2)28-15)20(24)29-21(18)25;1-4-11-10(8-26-9-21)15(18(22)25-3)13(27-11)6-7-14-17-16(12(5-2)28-14)19(23)29-20(17)24;;;;/h4-7,10-18H,1-2,8-9H2,3H3;4-7,9-17H,1-2,8H2,3H3;4*1H4
InChIKeyBGQCUUIYIGDXBH-UHFFFAOYSA-N
MW874.97 g/mol
LogP4.10
Rot. Bonds16

About methane;methyl 3-ethenyl-5-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-2-(formyloxymethyl)cyclopentane-1-carboxylate;methyl 5-ethenyl-2-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-4-(formyloxymethyl)oxolane-3-carboxylate

methane;methyl 3-ethenyl-5-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-2-(formyloxymethyl)cyclopentane-1-carboxylate;methyl 5-ethenyl-2-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-4-(formyloxymethyl)oxolane-3-carboxylate (PubChem CID 157343102) has the molecular formula C45H62O17 and a molecular weight of 874.97 g/mol. Its IUPAC name is methane;methyl 3-ethenyl-5-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-2-(formyloxymethyl)cyclopentane-1-carboxylate;methyl 5-ethenyl-2-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-4-(formyloxymethyl)oxolane-3-carboxylate.

Molecular Properties

Compound Namemethane;methyl 3-ethenyl-5-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-2-(formyloxymethyl)cyclopentane-1-carboxylate;methyl 5-ethenyl-2-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-4-(formyloxymethyl)oxolane-3-carboxylate
PubChem CID157343102
Molecular FormulaC45H62O17
Molecular Weight874.97 g/mol
Exact Mass874.40
IUPAC Namemethane;methyl 3-ethenyl-5-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-2-(formyloxymethyl)cyclopentane-1-carboxylate;methyl 5-ethenyl-2-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-4-(formyloxymethyl)oxolane-3-carboxylate
SMILESC.C.C.C.C=CC1CC(C=CC2OC(C=C)C3C(=O)OC(=O)C23)C(C(=O)OC)C1COC=O.C=CC1OC(C=CC2OC(C=C)C3C(=O)OC(=O)C23)C(C(=O)OC)C1COC=O
InChIInChI=1S/C21H24O8.C20H22O9.4CH4/c1-4-11-8-12(16(19(23)26-3)13(11)9-27-10-22)6-7-15-18-17(14(5-2)28-15)20(24)29-21(18)25;1-4-11-10(8-26-9-21)15(18(22)25-3)13(27-11)6-7-14-17-16(12(5-2)28-14)19(23)29-20(17)24;;;;/h4-7,10-18H,1-2,8-9H2,3H3;4-7,9-17H,1-2,8H2,3H3;4*1H4
InChIKeyBGQCUUIYIGDXBH-UHFFFAOYSA-N
XLogP4.10
TPSA219.63 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500874.97
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methane;methyl 3-ethenyl-5-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-2-(formyloxymethyl)cyclopentane-1-carboxylate;methyl 5-ethenyl-2-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-4-(formyloxymethyl)oxolane-3-carboxylate 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

methyl 3-ethenyl-5-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-2-(formyloxymethyl)cyclopentane-1-carboxylate
CID 58193696
(3aS,6aR)-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione
CID 122592323
1-ethenyl-3-(3-trimethylsilylprop-1-enyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione
CID 72965758
(1R,3S,3aR,6aS)-1-ethenyl-3-[(E)-3-trimethylsilylprop-1-enyl]-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione
CID 177483303
(3aR,6aS)-1-[(E)-2-[3-[(Z)-2-ethoxyethenyl]-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentyl]ethenyl]-3-[(Z)-2-phenylethenyl]-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione;bis(dimethyl 2-[(E)-2-[3-[(Z)-2-ethoxyethenyl]-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentyl]ethenyl]-5-[(Z)-2-phenylethenyl]oxolane-3,4-dicarboxylate)
CID 159629014
3-(6-ethenyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-4-yl)prop-2-enyl acetate
CID 123970791
methyl 3-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 130028820
dimethyl 5-ethenylbicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 67802456
methyl (1R)-2-ethenylcyclopropane-1-carboxylate
CID 175542907
4-(2-cyclohexylethenyl)-6-ethenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione
CID 72785401
methyl 2-(2-ethenyl-4-oxocyclopentyl)acetate
CID 14069897
ethyl (1S,2R,3R,5S)-2-amino-5-ethenyl-3-[(E)-3-methoxy-3-oxoprop-1-enyl]cyclopentane-1-carboxylate
CID 132573847

Frequently Asked Questions

What is the IUPAC name of methane;methyl 3-ethenyl-5-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-2-(formyloxymethyl)cyclopentane-1-carboxylate;methyl 5-ethenyl-2-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-4-(formyloxymethyl)oxolane-3-carboxylate?
The IUPAC name of methane;methyl 3-ethenyl-5-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-2-(formyloxymethyl)cyclopentane-1-carboxylate;methyl 5-ethenyl-2-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-4-(formyloxymethyl)oxolane-3-carboxylate (CID 157343102) is methane;methyl 3-ethenyl-5-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-2-(formyloxymethyl)cyclopentane-1-carboxylate;methyl 5-ethenyl-2-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-4-(formyloxymethyl)oxolane-3-carboxylate.
What is the SMILES notation for methane;methyl 3-ethenyl-5-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-2-(formyloxymethyl)cyclopentane-1-carboxylate;methyl 5-ethenyl-2-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-4-(formyloxymethyl)oxolane-3-carboxylate?
The canonical SMILES for methane;methyl 3-ethenyl-5-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-2-(formyloxymethyl)cyclopentane-1-carboxylate;methyl 5-ethenyl-2-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-4-(formyloxymethyl)oxolane-3-carboxylate is C.C.C.C.C=CC1CC(C=CC2OC(C=C)C3C(=O)OC(=O)C23)C(C(=O)OC)C1COC=O.C=CC1OC(C=CC2OC(C=C)C3C(=O)OC(=O)C23)C(C(=O)OC)C1COC=O.
What is the InChIKey of methane;methyl 3-ethenyl-5-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-2-(formyloxymethyl)cyclopentane-1-carboxylate;methyl 5-ethenyl-2-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-4-(formyloxymethyl)oxolane-3-carboxylate?
The InChIKey is BGQCUUIYIGDXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O8.C20H22O9.4CH4/c1-4-11-8-12(16(19(23)26-3)13(11)9-27-10-22)6-7-15-18-17(14(5-2)28-15)20(24)29-21(18)25;1-4-11-10(8-26-9-21)15(18(22)25-3)13(27-11)6-7-14-17-16(12(5-2)28-14)19(23)29-20(17)24;;;;/h4-7,10-18H,1-2,8-9H2,3H3;4-7,9-17H,1-2,8H2,3H3;4*1H4.
What are the key properties of methane;methyl 3-ethenyl-5-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-2-(formyloxymethyl)cyclopentane-1-carboxylate;methyl 5-ethenyl-2-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-4-(formyloxymethyl)oxolane-3-carboxylate?
methane;methyl 3-ethenyl-5-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-2-(formyloxymethyl)cyclopentane-1-carboxylate;methyl 5-ethenyl-2-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-4-(formyloxymethyl)oxolane-3-carboxylate has a molecular weight of 874.97 g/mol, XLogP of 4.10, 16 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl 3-ethenyl-5-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-2-(formyloxymethyl)cyclopentane-1-carboxylate;methyl 5-ethenyl-2-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-4-(formyloxymethyl)oxolane-3-carboxylate is sourced from PubChem (CID 157343102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).