dimethyl 3-(methoxymethoxy)pentanedioate

C9H16O6 — CID 542542

IUPACdimethyl 3-(methoxymethoxy)pentanedioate
SMILESCOCOC(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C9H16O6/c1-12-6-15-7(4-8(10)13-2)5-9(11)14-3/h7H,4-6H2,1-3H3
InChIKeyJZGPKZRLGVFWIN-UHFFFAOYSA-N
MW220.22 g/mol
LogP0.10
Rot. Bonds7

About dimethyl 3-(methoxymethoxy)pentanedioate

dimethyl 3-(methoxymethoxy)pentanedioate (PubChem CID 542542) has the molecular formula C9H16O6 and a molecular weight of 220.22 g/mol. Its IUPAC name is dimethyl 3-(methoxymethoxy)pentanedioate.

Molecular Properties

Compound Namedimethyl 3-(methoxymethoxy)pentanedioate
PubChem CID542542
Molecular FormulaC9H16O6
Molecular Weight220.22 g/mol
Exact Mass220.09
IUPAC Namedimethyl 3-(methoxymethoxy)pentanedioate
SMILESCOCOC(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C9H16O6/c1-12-6-15-7(4-8(10)13-2)5-9(11)14-3/h7H,4-6H2,1-3H3
InChIKeyJZGPKZRLGVFWIN-UHFFFAOYSA-N
XLogP0.10
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,3-Dioxolane-2,2-diacetic acid, diethyl ester
CID 274348
Ethyl 3-(tetrahydro-2H-pyran-2-yloxy)butanoate
CID 361165
Pentanedioic acid, 3-(acetyloxy)-, diethyl ester
CID 11817442
Dimethyl 3-methoxypentanedioate
CID 14670803
Ethyl (3s)-3-(tetrahydro-2h-pyran-2-yloxy)-butanoate
CID 13979635
4-Methoxycarbonylbutyl-1-methyl-2-methoxycarbonylethyl ether
CID 575433
Methyl 2-[2-(2-methoxy-2-oxoethyl)-5,5-dimethyl-1,3-dioxan-2-yl]acetate
CID 11414283
ethyl (3R)-3-(oxan-2-yloxy)butanoate
CID 23240134
methyl (3S)-3,5-diacetyloxypentanoate
CID 131850965
methyl (3R)-5-acetyloxy-3-(methoxymethoxy)pentanoate
CID 131850966
methyl (3R)-3-(oxan-2-yloxy)butanoate
CID 10512293
Diethyl 3-(oxan-2-yloxy)pentanedioate
CID 12486312

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-(methoxymethoxy)pentanedioate?
The IUPAC name of dimethyl 3-(methoxymethoxy)pentanedioate (CID 542542) is dimethyl 3-(methoxymethoxy)pentanedioate.
What is the SMILES notation for dimethyl 3-(methoxymethoxy)pentanedioate?
The canonical SMILES for dimethyl 3-(methoxymethoxy)pentanedioate is COCOC(CC(=O)OC)CC(=O)OC.
What is the InChIKey of dimethyl 3-(methoxymethoxy)pentanedioate?
The InChIKey is JZGPKZRLGVFWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O6/c1-12-6-15-7(4-8(10)13-2)5-9(11)14-3/h7H,4-6H2,1-3H3.
What are the key properties of dimethyl 3-(methoxymethoxy)pentanedioate?
dimethyl 3-(methoxymethoxy)pentanedioate has a molecular weight of 220.22 g/mol, XLogP of 0.10, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(methoxymethoxy)pentanedioate is sourced from PubChem (CID 542542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).