methyl 3,5-bis(methoxymethoxy)-4-prop-2-enylbenzoate

C15H20O6 — CID 59560396

IUPACmethyl 3,5-bis(methoxymethoxy)-4-prop-2-enylbenzoate
SMILESC=CCc1c(OCOC)cc(C(=O)OC)cc1OCOC
InChIInChI=1S/C15H20O6/c1-5-6-12-13(20-9-17-2)7-11(15(16)19-4)8-14(12)21-10-18-3/h5,7-8H,1,6,9-10H2,2-4H3
InChIKeyQIABRFFIZBOANG-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.17
Rot. Bonds9

About methyl 3,5-bis(methoxymethoxy)-4-prop-2-enylbenzoate

methyl 3,5-bis(methoxymethoxy)-4-prop-2-enylbenzoate (PubChem CID 59560396) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is methyl 3,5-bis(methoxymethoxy)-4-prop-2-enylbenzoate.

Molecular Properties

Compound Namemethyl 3,5-bis(methoxymethoxy)-4-prop-2-enylbenzoate
PubChem CID59560396
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Namemethyl 3,5-bis(methoxymethoxy)-4-prop-2-enylbenzoate
SMILESC=CCc1c(OCOC)cc(C(=O)OC)cc1OCOC
InChIInChI=1S/C15H20O6/c1-5-6-12-13(20-9-17-2)7-11(15(16)19-4)8-14(12)21-10-18-3/h5,7-8H,1,6,9-10H2,2-4H3
InChIKeyQIABRFFIZBOANG-UHFFFAOYSA-N
XLogP2.17
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3,5-bis(methoxymethoxy)-4-prop-2-enylbenzoate?
The IUPAC name of methyl 3,5-bis(methoxymethoxy)-4-prop-2-enylbenzoate (CID 59560396) is methyl 3,5-bis(methoxymethoxy)-4-prop-2-enylbenzoate.
What is the SMILES notation for methyl 3,5-bis(methoxymethoxy)-4-prop-2-enylbenzoate?
The canonical SMILES for methyl 3,5-bis(methoxymethoxy)-4-prop-2-enylbenzoate is C=CCc1c(OCOC)cc(C(=O)OC)cc1OCOC.
What is the InChIKey of methyl 3,5-bis(methoxymethoxy)-4-prop-2-enylbenzoate?
The InChIKey is QIABRFFIZBOANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O6/c1-5-6-12-13(20-9-17-2)7-11(15(16)19-4)8-14(12)21-10-18-3/h5,7-8H,1,6,9-10H2,2-4H3.
What are the key properties of methyl 3,5-bis(methoxymethoxy)-4-prop-2-enylbenzoate?
methyl 3,5-bis(methoxymethoxy)-4-prop-2-enylbenzoate has a molecular weight of 296.32 g/mol, XLogP of 2.17, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-bis(methoxymethoxy)-4-prop-2-enylbenzoate is sourced from PubChem (CID 59560396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).