dimethyl 3-(methoxymethyl)pentanedioate

C9H16O5 — CID 141473714

IUPACdimethyl 3-(methoxymethyl)pentanedioate
SMILESCOCC(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C9H16O5/c1-12-6-7(4-8(10)13-2)5-9(11)14-3/h7H,4-6H2,1-3H3
InChIKeyGEKZPHSRDNVDLC-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.38
Rot. Bonds6

About dimethyl 3-(methoxymethyl)pentanedioate

dimethyl 3-(methoxymethyl)pentanedioate (PubChem CID 141473714) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is dimethyl 3-(methoxymethyl)pentanedioate.

Molecular Properties

Compound Namedimethyl 3-(methoxymethyl)pentanedioate
PubChem CID141473714
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Namedimethyl 3-(methoxymethyl)pentanedioate
SMILESCOCC(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C9H16O5/c1-12-6-7(4-8(10)13-2)5-9(11)14-3/h7H,4-6H2,1-3H3
InChIKeyGEKZPHSRDNVDLC-UHFFFAOYSA-N
XLogP0.38
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 3-(methoxymethyl)pentanedioate?
The IUPAC name of dimethyl 3-(methoxymethyl)pentanedioate (CID 141473714) is dimethyl 3-(methoxymethyl)pentanedioate.
What is the SMILES notation for dimethyl 3-(methoxymethyl)pentanedioate?
The canonical SMILES for dimethyl 3-(methoxymethyl)pentanedioate is COCC(CC(=O)OC)CC(=O)OC.
What is the InChIKey of dimethyl 3-(methoxymethyl)pentanedioate?
The InChIKey is GEKZPHSRDNVDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5/c1-12-6-7(4-8(10)13-2)5-9(11)14-3/h7H,4-6H2,1-3H3.
What are the key properties of dimethyl 3-(methoxymethyl)pentanedioate?
dimethyl 3-(methoxymethyl)pentanedioate has a molecular weight of 204.22 g/mol, XLogP of 0.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(methoxymethyl)pentanedioate is sourced from PubChem (CID 141473714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).