3-[3-(2-methoxyethoxy)-2-methylpropyl]-4-methyloxolane-2,5-dione

C12H20O5 — CID 20641917

IUPAC3-[3-(2-methoxyethoxy)-2-methylpropyl]-4-methyloxolane-2,5-dione
SMILESCOCCOCC(C)CC1C(=O)OC(=O)C1C
InChIInChI=1S/C12H20O5/c1-8(7-16-5-4-15-3)6-10-9(2)11(13)17-12(10)14/h8-10H,4-7H2,1-3H3
InChIKeyNNNFMVNVTMDJQQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.01
Rot. Bonds7

About 3-[3-(2-methoxyethoxy)-2-methylpropyl]-4-methyloxolane-2,5-dione

3-[3-(2-methoxyethoxy)-2-methylpropyl]-4-methyloxolane-2,5-dione (PubChem CID 20641917) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[3-(2-methoxyethoxy)-2-methylpropyl]-4-methyloxolane-2,5-dione.

Molecular Properties

Compound Name3-[3-(2-methoxyethoxy)-2-methylpropyl]-4-methyloxolane-2,5-dione
PubChem CID20641917
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name3-[3-(2-methoxyethoxy)-2-methylpropyl]-4-methyloxolane-2,5-dione
SMILESCOCCOCC(C)CC1C(=O)OC(=O)C1C
InChIInChI=1S/C12H20O5/c1-8(7-16-5-4-15-3)6-10-9(2)11(13)17-12(10)14/h8-10H,4-7H2,1-3H3
InChIKeyNNNFMVNVTMDJQQ-UHFFFAOYSA-N
XLogP1.01
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-Dioxooxolan-3-yl)propyl butanoate
CID 14871738
Triethoxypropylsuccinic anhydride
CID 87178326
Triethyl pentane-1,3,4-tricarboxylate
CID 252153
4-Amyloxymethyl-2-formylmethylbutanolide
CID 13667046
2-Oxopropyl-4-isobutoxymethylbutanolide
CID 13811446
2-Oxopropyl-4-isoamyloxymethylbutanolide
CID 13811447
3-(2-Oxopropyl)-5-(propoxymethyl)oxolan-2-one
CID 13811448
4-Oxadodecylsuccinic anhydride
CID 23267318
4-Oxadecylsuccinic anhydride
CID 23268468
1-O-ethyl 5-O-methyl 2-(oxolan-3-yl)pentanedioate
CID 25172326
[(2Rs,4r)-tetrahydro-4-isopropyl-5-oxofuran-2-yl]methyl acetate
CID 45140870
2-(5-Amyloxymethyl-2-oxotetrahydro-3-furyl)-propanoic acid
CID 129741842

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethoxy)-2-methylpropyl]-4-methyloxolane-2,5-dione?
The IUPAC name of 3-[3-(2-methoxyethoxy)-2-methylpropyl]-4-methyloxolane-2,5-dione (CID 20641917) is 3-[3-(2-methoxyethoxy)-2-methylpropyl]-4-methyloxolane-2,5-dione.
What is the SMILES notation for 3-[3-(2-methoxyethoxy)-2-methylpropyl]-4-methyloxolane-2,5-dione?
The canonical SMILES for 3-[3-(2-methoxyethoxy)-2-methylpropyl]-4-methyloxolane-2,5-dione is COCCOCC(C)CC1C(=O)OC(=O)C1C.
What is the InChIKey of 3-[3-(2-methoxyethoxy)-2-methylpropyl]-4-methyloxolane-2,5-dione?
The InChIKey is NNNFMVNVTMDJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O5/c1-8(7-16-5-4-15-3)6-10-9(2)11(13)17-12(10)14/h8-10H,4-7H2,1-3H3.
What are the key properties of 3-[3-(2-methoxyethoxy)-2-methylpropyl]-4-methyloxolane-2,5-dione?
3-[3-(2-methoxyethoxy)-2-methylpropyl]-4-methyloxolane-2,5-dione has a molecular weight of 244.29 g/mol, XLogP of 1.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethoxy)-2-methylpropyl]-4-methyloxolane-2,5-dione is sourced from PubChem (CID 20641917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).