(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoate

C9H17O5- — CID 140579321

IUPAC(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoate
SMILESCOCCOCCOC[C@H](C)C(=O)[O-]
InChIInChI=1S/C9H18O5/c1-8(9(10)11)7-14-6-5-13-4-3-12-2/h8H,3-7H2,1-2H3,(H,10,11)/p-1/t8-/m0/s1
InChIKeyIEVKBJWWIATDRD-QMMMGPOBSA-M
MW205.23 g/mol
LogP-0.95
Rot. Bonds9

About (2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoate

(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoate (PubChem CID 140579321) has the molecular formula C9H17O5- and a molecular weight of 205.23 g/mol. Its IUPAC name is (2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoate.

Molecular Properties

Compound Name(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoate
PubChem CID140579321
Molecular FormulaC9H17O5-
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Name(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoate
SMILESCOCCOCCOC[C@H](C)C(=O)[O-]
InChIInChI=1S/C9H18O5/c1-8(9(10)11)7-14-6-5-13-4-3-12-2/h8H,3-7H2,1-2H3,(H,10,11)/p-1/t8-/m0/s1
InChIKeyIEVKBJWWIATDRD-QMMMGPOBSA-M
XLogP-0.95
TPSA67.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 5-0.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoic acid
CID 87267502
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane carbonate
CID 23366578
2-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 18318699
ethyl 3-(2-methoxyethoxy)-2-methylpropanoate
CID 114997793
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)propanoic acid
CID 104565015
2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane-1,1-diol
CID 87208063
ethyl 3-[2-(2-methoxyethoxy)ethoxy]-2-(propan-2-ylamino)propanoate
CID 113427286
2-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]propanoic acid
CID 104565225
(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine
CID 104560725
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoate?
The IUPAC name of (2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoate (CID 140579321) is (2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoate.
What is the SMILES notation for (2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoate?
The canonical SMILES for (2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoate is COCCOCCOC[C@H](C)C(=O)[O-].
What is the InChIKey of (2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoate?
The InChIKey is IEVKBJWWIATDRD-QMMMGPOBSA-M. The full InChI is InChI=1S/C9H18O5/c1-8(9(10)11)7-14-6-5-13-4-3-12-2/h8H,3-7H2,1-2H3,(H,10,11)/p-1/t8-/m0/s1.
What are the key properties of (2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoate?
(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoate has a molecular weight of 205.23 g/mol, XLogP of -0.95, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoate is sourced from PubChem (CID 140579321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).