methoxymethyl 4-(methoxymethoxy)benzoate

C11H14O5 — CID 142723008

IUPACmethoxymethyl 4-(methoxymethoxy)benzoate
SMILESCOCOC(=O)c1ccc(OCOC)cc1
InChIInChI=1S/C11H14O5/c1-13-7-15-10-5-3-9(4-6-10)11(12)16-8-14-2/h3-6H,7-8H2,1-2H3
InChIKeyCDAKYHVVTVWUDY-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.43
Rot. Bonds6

About methoxymethyl 4-(methoxymethoxy)benzoate

methoxymethyl 4-(methoxymethoxy)benzoate (PubChem CID 142723008) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is methoxymethyl 4-(methoxymethoxy)benzoate.

Molecular Properties

Compound Namemethoxymethyl 4-(methoxymethoxy)benzoate
PubChem CID142723008
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Namemethoxymethyl 4-(methoxymethoxy)benzoate
SMILESCOCOC(=O)c1ccc(OCOC)cc1
InChIInChI=1S/C11H14O5/c1-13-7-15-10-5-3-9(4-6-10)11(12)16-8-14-2/h3-6H,7-8H2,1-2H3
InChIKeyCDAKYHVVTVWUDY-UHFFFAOYSA-N
XLogP1.43
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.43
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

methoxymethyl 4-hydroxybenzoate
CID 58114704
methoxymethyl 4-aminobenzoate
CID 65364414
1,4-bis(methoxymethoxy)benzene
CID 542643
[4-[2-[4-[4-(methoxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 4-(methoxymethoxy)benzoate
CID 58090351
1-[4-(methoxymethoxy)phenyl]ethanone;1-phenylethanone
CID 54405970
(4-methylphenoxy)methyl benzoate
CID 10444404
1-(methoxymethoxy)-4-[1-[4-(methoxymethoxy)phenyl]prop-1-enyl]benzene
CID 146169543
(4-methoxybenzoyl)oxymethyl 4-methylbenzoate
CID 134487475
(Z)-3-[4-(methoxymethoxy)phenyl]but-2-enoic acid
CID 18473813
3-[4-(methoxymethoxy)phenyl]but-2-enoic acid
CID 70155103
3-O-[(4-acetylbenzoyl)oxymethyl] 1-O-(methoxymethyl) propanedioate;methane
CID 162105132
methyl 4-(2,2-dimethylpropanoyloxymethoxy)benzoate
CID 175855563

Frequently Asked Questions

What is the IUPAC name of methoxymethyl 4-(methoxymethoxy)benzoate?
The IUPAC name of methoxymethyl 4-(methoxymethoxy)benzoate (CID 142723008) is methoxymethyl 4-(methoxymethoxy)benzoate.
What is the SMILES notation for methoxymethyl 4-(methoxymethoxy)benzoate?
The canonical SMILES for methoxymethyl 4-(methoxymethoxy)benzoate is COCOC(=O)c1ccc(OCOC)cc1.
What is the InChIKey of methoxymethyl 4-(methoxymethoxy)benzoate?
The InChIKey is CDAKYHVVTVWUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-13-7-15-10-5-3-9(4-6-10)11(12)16-8-14-2/h3-6H,7-8H2,1-2H3.
What are the key properties of methoxymethyl 4-(methoxymethoxy)benzoate?
methoxymethyl 4-(methoxymethoxy)benzoate has a molecular weight of 226.23 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl 4-(methoxymethoxy)benzoate is sourced from PubChem (CID 142723008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).