dimethyl 6-methoxy-8-methyl-8,9-dihydro-6H-pyrano[4,3-b]oxepine-4,5-dicarboxylate

C15H18O7 — CID 624179

IUPACdimethyl 6-methoxy-8-methyl-8,9-dihydro-6H-pyrano[4,3-b]oxepine-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2=C(CC(C)OC2OC)OC=C1
InChIInChI=1S/C15H18O7/c1-8-7-10-12(15(20-4)22-8)11(14(17)19-3)9(5-6-21-10)13(16)18-2/h5-6,8,15H,7H2,1-4H3
InChIKeyVYUJAGHFALRLFG-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.21
Rot. Bonds3

About dimethyl 6-methoxy-8-methyl-8,9-dihydro-6H-pyrano[4,3-b]oxepine-4,5-dicarboxylate

dimethyl 6-methoxy-8-methyl-8,9-dihydro-6H-pyrano[4,3-b]oxepine-4,5-dicarboxylate (PubChem CID 624179) has the molecular formula C15H18O7 and a molecular weight of 310.30 g/mol. Its IUPAC name is dimethyl 6-methoxy-8-methyl-8,9-dihydro-6H-pyrano[4,3-b]oxepine-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6-methoxy-8-methyl-8,9-dihydro-6H-pyrano[4,3-b]oxepine-4,5-dicarboxylate
PubChem CID624179
Molecular FormulaC15H18O7
Molecular Weight310.30 g/mol
Exact Mass310.11
IUPAC Namedimethyl 6-methoxy-8-methyl-8,9-dihydro-6H-pyrano[4,3-b]oxepine-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2=C(CC(C)OC2OC)OC=C1
InChIInChI=1S/C15H18O7/c1-8-7-10-12(15(20-4)22-8)11(14(17)19-3)9(5-6-21-10)13(16)18-2/h5-6,8,15H,7H2,1-4H3
InChIKeyVYUJAGHFALRLFG-UHFFFAOYSA-N
XLogP1.21
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze dimethyl 6-methoxy-8-methyl-8,9-dihydro-6H-pyrano[4,3-b]oxepine-4,5-dicarboxylate with MolForge

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Related Compounds

Dimethyl 2-(2,2-dimethoxypropyl)-3-(methoxymethyl)oxepine-4,5-dicarboxylate
CID 13788596
4H-Furo(3,2-c)pyran-2(6H)-one, 4-hydroxy-, butyrate
CID 24838300
[(7E)-18-methoxy-14-oxo-2,13-dioxabicyclo[13.4.0]nonadeca-1(15),7,16-trien-12-yl] acetate
CID 69703838
4-Methoxybutyl 2-[4-(methoxymethoxy)cyclohexa-2,4-dien-1-ylidene]acetate
CID 90724812
ethyl (3E,5Z)-4-(methoxymethoxy)-3-(methoxymethoxymethyl)-2-methylideneocta-3,5,7-trienoate
CID 118928204
Prop-2-enyl 2-ethoxy-5-methyl-2,3-dihydrofuran-4-carboxylate
CID 142730232
methyl (E)-2-cyclohexa-1,5-dien-1-yl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]prop-2-enoate
CID 146264963
methyl (2E)-3-[2-[(6-methoxy-3,4-dihydro-2H-pyran-4-yl)oxy]propan-2-yl]penta-2,4-dienoate
CID 10016622
5-[(E)-2-(methoxymethoxy)pent-3-enyl]-2,2,6-trimethyl-1,3-dioxin-4-one
CID 10730743
5-[(Z)-2-(methoxymethoxy)pent-3-enyl]-2,2,6-trimethyl-1,3-dioxin-4-one
CID 177544493

Frequently Asked Questions

What is the IUPAC name of dimethyl 6-methoxy-8-methyl-8,9-dihydro-6H-pyrano[4,3-b]oxepine-4,5-dicarboxylate?
The IUPAC name of dimethyl 6-methoxy-8-methyl-8,9-dihydro-6H-pyrano[4,3-b]oxepine-4,5-dicarboxylate (CID 624179) is dimethyl 6-methoxy-8-methyl-8,9-dihydro-6H-pyrano[4,3-b]oxepine-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 6-methoxy-8-methyl-8,9-dihydro-6H-pyrano[4,3-b]oxepine-4,5-dicarboxylate?
The canonical SMILES for dimethyl 6-methoxy-8-methyl-8,9-dihydro-6H-pyrano[4,3-b]oxepine-4,5-dicarboxylate is COC(=O)C1=C(C(=O)OC)C2=C(CC(C)OC2OC)OC=C1.
What is the InChIKey of dimethyl 6-methoxy-8-methyl-8,9-dihydro-6H-pyrano[4,3-b]oxepine-4,5-dicarboxylate?
The InChIKey is VYUJAGHFALRLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O7/c1-8-7-10-12(15(20-4)22-8)11(14(17)19-3)9(5-6-21-10)13(16)18-2/h5-6,8,15H,7H2,1-4H3.
What are the key properties of dimethyl 6-methoxy-8-methyl-8,9-dihydro-6H-pyrano[4,3-b]oxepine-4,5-dicarboxylate?
dimethyl 6-methoxy-8-methyl-8,9-dihydro-6H-pyrano[4,3-b]oxepine-4,5-dicarboxylate has a molecular weight of 310.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6-methoxy-8-methyl-8,9-dihydro-6H-pyrano[4,3-b]oxepine-4,5-dicarboxylate is sourced from PubChem (CID 624179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).