methyl 7-methoxy-4-[7-methoxy-5-(methoxymethyl)-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylate

C20H20O9 — CID 175675443

IUPACmethyl 7-methoxy-4-[7-methoxy-5-(methoxymethyl)-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylate
SMILESCOCc1cc(OC)c2c(c1-c1c(C(=O)OC)cc(OC)c3c1OCO3)OCO2
InChIInChI=1S/C20H20O9/c1-22-7-10-5-12(23-2)16-18(28-8-26-16)14(10)15-11(20(21)25-4)6-13(24-3)17-19(15)29-9-27-17/h5-6H,7-9H2,1-4H3
InChIKeyWKKSYWARCADXRV-UHFFFAOYSA-N
MW404.37 g/mol
LogP2.76
Rot. Bonds6

About methyl 7-methoxy-4-[7-methoxy-5-(methoxymethyl)-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylate

methyl 7-methoxy-4-[7-methoxy-5-(methoxymethyl)-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylate (PubChem CID 175675443) has the molecular formula C20H20O9 and a molecular weight of 404.37 g/mol. Its IUPAC name is methyl 7-methoxy-4-[7-methoxy-5-(methoxymethyl)-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-4-[7-methoxy-5-(methoxymethyl)-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylate
PubChem CID175675443
Molecular FormulaC20H20O9
Molecular Weight404.37 g/mol
Exact Mass404.11
IUPAC Namemethyl 7-methoxy-4-[7-methoxy-5-(methoxymethyl)-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylate
SMILESCOCc1cc(OC)c2c(c1-c1c(C(=O)OC)cc(OC)c3c1OCO3)OCO2
InChIInChI=1S/C20H20O9/c1-22-7-10-5-12(23-2)16-18(28-8-26-16)14(10)15-11(20(21)25-4)6-13(24-3)17-19(15)29-9-27-17/h5-6H,7-9H2,1-4H3
InChIKeyWKKSYWARCADXRV-UHFFFAOYSA-N
XLogP2.76
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 7-methoxy-4-[7-methoxy-5-(methoxymethyl)-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylate with MolForge

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Related Compounds

methyl 7-methoxy-1,3-benzodioxole-4-carboxylate
CID 19967040
methyl 4-[5-[(E)-2-cyano-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]-7-methoxy-1,3-benzodioxol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxylate
CID 70691796
[(1S)-1-phenylbut-3-enyl] 7-methoxy-4-[7-methoxy-5-(1-phenylbut-3-enoxycarbonyl)-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylate
CID 67814924
methyl 7-methoxy-4-[7-methoxy-5-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]carbamoyl]-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylate
CID 25033205
methyl 7-methoxy-4-[7-methoxy-5-[[5-[(4-methoxyphenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]carbamoyl]-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylate
CID 25033206
methyl 4-[5-[2,4-ditert-butyl-6-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]carbonyl-7-methoxy-1,3-benzodioxol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxylate
CID 122219883
methyl 4-[5-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-hydroxymethyl]-7-methoxy-1,3-benzodioxol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxylate
CID 148632964
3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-oxopropanenitrile
CID 91973386
methyl 4-fluoro-2-(methoxymethyl)benzoate
CID 21075354
methyl 3-methoxy-4-(methoxymethyl)benzoate
CID 134128516
2-[2,5-dimethoxy-4-(methoxymethyl)phenyl]acetic acid
CID 117353062
dimethyl 4-methoxy-5-(2-methoxyethoxy)benzene-1,2-dicarboxylate
CID 59569387

Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-4-[7-methoxy-5-(methoxymethyl)-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylate?
The IUPAC name of methyl 7-methoxy-4-[7-methoxy-5-(methoxymethyl)-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylate (CID 175675443) is methyl 7-methoxy-4-[7-methoxy-5-(methoxymethyl)-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylate.
What is the SMILES notation for methyl 7-methoxy-4-[7-methoxy-5-(methoxymethyl)-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylate?
The canonical SMILES for methyl 7-methoxy-4-[7-methoxy-5-(methoxymethyl)-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylate is COCc1cc(OC)c2c(c1-c1c(C(=O)OC)cc(OC)c3c1OCO3)OCO2.
What is the InChIKey of methyl 7-methoxy-4-[7-methoxy-5-(methoxymethyl)-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylate?
The InChIKey is WKKSYWARCADXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O9/c1-22-7-10-5-12(23-2)16-18(28-8-26-16)14(10)15-11(20(21)25-4)6-13(24-3)17-19(15)29-9-27-17/h5-6H,7-9H2,1-4H3.
What are the key properties of methyl 7-methoxy-4-[7-methoxy-5-(methoxymethyl)-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylate?
methyl 7-methoxy-4-[7-methoxy-5-(methoxymethyl)-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylate has a molecular weight of 404.37 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-4-[7-methoxy-5-(methoxymethyl)-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylate is sourced from PubChem (CID 175675443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).