dimethyl 3-methoxypentanedioate

C8H14O5 — CID 14670803

IUPACdimethyl 3-methoxypentanedioate
SMILESCOC(=O)CC(CC(=O)OC)OC
InChIInChI=1S/C8H14O5/c1-11-6(4-7(9)12-2)5-8(10)13-3/h6H,4-5H2,1-3H3
InChIKeyZSOILRPTYLMTFJ-UHFFFAOYSA-N
MW190.19 g/mol
LogP0.13
Rot. Bonds5

About dimethyl 3-methoxypentanedioate

dimethyl 3-methoxypentanedioate (PubChem CID 14670803) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is dimethyl 3-methoxypentanedioate.

Molecular Properties

Compound Namedimethyl 3-methoxypentanedioate
PubChem CID14670803
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Namedimethyl 3-methoxypentanedioate
SMILESCOC(=O)CC(CC(=O)OC)OC
InChIInChI=1S/C8H14O5/c1-11-6(4-7(9)12-2)5-8(10)13-3/h6H,4-5H2,1-3H3
InChIKeyZSOILRPTYLMTFJ-UHFFFAOYSA-N
XLogP0.13
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Dimethyl 3-oxoglutarate
CID 74591
Diethyl acetonedicarboxylate
CID 66045
Diethyl 3-hydroxyglutarate
CID 96259
Methyl 5-methoxy-3-oxopentanoate
CID 542416
Dimethyl 3-hydroxypentanedioate
CID 232491
Diisopropyl glutarate
CID 96330
Ethyl 5-methoxy-3-oxopentanoate
CID 21765727
Pentanedioic acid, bis(1-methylpropyl) ester
CID 575283
Glutaric acid, ethyl isopropyl ester
CID 14196796
Dipentan-2-yl pentanedioate
CID 20033909
Pentanedioic acid, 3-oxo-, ethyl methyl ester
CID 10997773
(R)-Monoethyl 3-acetoxyglutarate
CID 11287402

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-methoxypentanedioate?
The IUPAC name of dimethyl 3-methoxypentanedioate (CID 14670803) is dimethyl 3-methoxypentanedioate.
What is the SMILES notation for dimethyl 3-methoxypentanedioate?
The canonical SMILES for dimethyl 3-methoxypentanedioate is COC(=O)CC(CC(=O)OC)OC.
What is the InChIKey of dimethyl 3-methoxypentanedioate?
The InChIKey is ZSOILRPTYLMTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5/c1-11-6(4-7(9)12-2)5-8(10)13-3/h6H,4-5H2,1-3H3.
What are the key properties of dimethyl 3-methoxypentanedioate?
dimethyl 3-methoxypentanedioate has a molecular weight of 190.19 g/mol, XLogP of 0.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-methoxypentanedioate is sourced from PubChem (CID 14670803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).