methoxymethyl (2S)-2-(methoxymethoxy)propanoate

C7H14O5 — CID 71444990

IUPACmethoxymethyl (2S)-2-(methoxymethoxy)propanoate
SMILESCOCOC(=O)[C@H](C)OCOC
InChIInChI=1S/C7H14O5/c1-6(11-4-9-2)7(8)12-5-10-3/h6H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyPGJWJGABODPEGN-LURJTMIESA-N
MW178.18 g/mol
LogP0.14
Rot. Bonds6

About methoxymethyl (2S)-2-(methoxymethoxy)propanoate

methoxymethyl (2S)-2-(methoxymethoxy)propanoate (PubChem CID 71444990) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is methoxymethyl (2S)-2-(methoxymethoxy)propanoate.

Molecular Properties

Compound Namemethoxymethyl (2S)-2-(methoxymethoxy)propanoate
PubChem CID71444990
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Namemethoxymethyl (2S)-2-(methoxymethoxy)propanoate
SMILESCOCOC(=O)[C@H](C)OCOC
InChIInChI=1S/C7H14O5/c1-6(11-4-9-2)7(8)12-5-10-3/h6H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyPGJWJGABODPEGN-LURJTMIESA-N
XLogP0.14
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(methoxymethoxy)propanoic acid
CID 10844423
trimethyl (E)-4-(methoxymethoxy)-3-methylpent-2-ene-1,1,2-tricarboxylate
CID 11056233
methane;methoxymethyl propan-2-yl carbonate
CID 158647197
4-(methoxymethoxy)-2,3-dimethyl-4-oxobutanoic acid
CID 23550695
ethyl 2-(ethoxymethoxy)propanoate
CID 21189118
methyl (2S,3R)-2-hydroxy-3-(methoxymethoxy)butanoate
CID 10559215
(2,6-ditert-butyl-4-methylphenyl) (2R)-2-(methoxymethoxy)propanoate
CID 11313698
(3R)-3-(methoxymethoxy)butanoic acid
CID 10487007
1-methoxypropan-2-yl 2-ethoxypropanoate
CID 88537715
2-bromopropanoyloxymethyl 2-bromopropanoate
CID 146451354
methoxymethyl carbonochloridate
CID 21418650
methoxymethyl (2R)-2-(4-chlorophenyl)-2-(methoxymethoxy)acetate
CID 124672414

Frequently Asked Questions

What is the IUPAC name of methoxymethyl (2S)-2-(methoxymethoxy)propanoate?
The IUPAC name of methoxymethyl (2S)-2-(methoxymethoxy)propanoate (CID 71444990) is methoxymethyl (2S)-2-(methoxymethoxy)propanoate.
What is the SMILES notation for methoxymethyl (2S)-2-(methoxymethoxy)propanoate?
The canonical SMILES for methoxymethyl (2S)-2-(methoxymethoxy)propanoate is COCOC(=O)[C@H](C)OCOC.
What is the InChIKey of methoxymethyl (2S)-2-(methoxymethoxy)propanoate?
The InChIKey is PGJWJGABODPEGN-LURJTMIESA-N. The full InChI is InChI=1S/C7H14O5/c1-6(11-4-9-2)7(8)12-5-10-3/h6H,4-5H2,1-3H3/t6-/m0/s1.
What are the key properties of methoxymethyl (2S)-2-(methoxymethoxy)propanoate?
methoxymethyl (2S)-2-(methoxymethoxy)propanoate has a molecular weight of 178.18 g/mol, XLogP of 0.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl (2S)-2-(methoxymethoxy)propanoate is sourced from PubChem (CID 71444990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).