diethyl 2-methylpropanedioate;1,4-dimethoxybenzene

C16H24O6 — CID 174542706

IUPACdiethyl 2-methylpropanedioate;1,4-dimethoxybenzene
SMILESCCOC(=O)C(C)C(=O)OCC.COc1ccc(OC)cc1
InChIInChI=1S/C8H14O4.C8H10O2/c1-4-11-7(9)6(3)8(10)12-5-2;1-9-7-3-5-8(10-2)6-4-7/h6H,4-5H2,1-3H3;3-6H,1-2H3
InChIKeyDPRBKDWNKBZZQM-UHFFFAOYSA-N
MW312.36 g/mol
LogP2.45
Rot. Bonds6

About diethyl 2-methylpropanedioate;1,4-dimethoxybenzene

diethyl 2-methylpropanedioate;1,4-dimethoxybenzene (PubChem CID 174542706) has the molecular formula C16H24O6 and a molecular weight of 312.36 g/mol. Its IUPAC name is diethyl 2-methylpropanedioate;1,4-dimethoxybenzene.

Molecular Properties

Compound Namediethyl 2-methylpropanedioate;1,4-dimethoxybenzene
PubChem CID174542706
Molecular FormulaC16H24O6
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Namediethyl 2-methylpropanedioate;1,4-dimethoxybenzene
SMILESCCOC(=O)C(C)C(=O)OCC.COc1ccc(OC)cc1
InChIInChI=1S/C8H14O4.C8H10O2/c1-4-11-7(9)6(3)8(10)12-5-2;1-9-7-3-5-8(10-2)6-4-7/h6H,4-5H2,1-3H3;3-6H,1-2H3
InChIKeyDPRBKDWNKBZZQM-UHFFFAOYSA-N
XLogP2.45
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

diethyl 2-methylpropanedioate;1,3,5-trimethoxybenzene
CID 174557224
ethyl (2R)-3-(4-methoxyphenyl)-2-methyl-3-oxopropanoate
CID 97035569
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
ethyl 2-(4-methoxyphenyl)-3-methylbutanoate
CID 62395214
anisole;ethyl 2-methylpropanoate
CID 177064087
ethyl (2R,3R)-2-amino-3-(4-methoxyphenyl)butanoate;ethyl (2S,3S)-2-amino-3-(4-methoxyphenyl)butanoate
CID 170905939
tetraethyl (2R,3S)-2,3-bis(4-methoxyphenyl)butane-1,1,4,4-tetracarboxylate
CID 10602909
benzene-1,2-diol;diethyl 2-methylpropanedioate
CID 174542693
ethyl 2-bromo-3-(4-methoxyphenyl)propanoate
CID 4737532
ethyl 2-fluoro-3-(4-methoxyphenyl)propanoate
CID 141121137
ethyl 4-(4-methoxyphenyl)-3-methyl-2,4-dioxobutanoate
CID 54803380
ethyl 2-(4-methoxyanilino)-3-methylbutanoate
CID 10753251

Frequently Asked Questions

What is the IUPAC name of diethyl 2-methylpropanedioate;1,4-dimethoxybenzene?
The IUPAC name of diethyl 2-methylpropanedioate;1,4-dimethoxybenzene (CID 174542706) is diethyl 2-methylpropanedioate;1,4-dimethoxybenzene.
What is the SMILES notation for diethyl 2-methylpropanedioate;1,4-dimethoxybenzene?
The canonical SMILES for diethyl 2-methylpropanedioate;1,4-dimethoxybenzene is CCOC(=O)C(C)C(=O)OCC.COc1ccc(OC)cc1.
What is the InChIKey of diethyl 2-methylpropanedioate;1,4-dimethoxybenzene?
The InChIKey is DPRBKDWNKBZZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4.C8H10O2/c1-4-11-7(9)6(3)8(10)12-5-2;1-9-7-3-5-8(10-2)6-4-7/h6H,4-5H2,1-3H3;3-6H,1-2H3.
What are the key properties of diethyl 2-methylpropanedioate;1,4-dimethoxybenzene?
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene has a molecular weight of 312.36 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-methylpropanedioate;1,4-dimethoxybenzene is sourced from PubChem (CID 174542706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).