1,3-bis(methoxymethoxy)-5-methylbenzene

C11H16O4 — CID 11148547

IUPAC1,3-bis(methoxymethoxy)-5-methylbenzene
SMILESCOCOc1cc(C)cc(OCOC)c1
InChIInChI=1S/C11H16O4/c1-9-4-10(14-7-12-2)6-11(5-9)15-8-13-3/h4-6H,7-8H2,1-3H3
InChIKeyJBJGMEIQNATBCH-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.96
Rot. Bonds6

About 1,3-bis(methoxymethoxy)-5-methylbenzene

1,3-bis(methoxymethoxy)-5-methylbenzene (PubChem CID 11148547) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 1,3-bis(methoxymethoxy)-5-methylbenzene.

Molecular Properties

Compound Name1,3-bis(methoxymethoxy)-5-methylbenzene
PubChem CID11148547
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name1,3-bis(methoxymethoxy)-5-methylbenzene
SMILESCOCOc1cc(C)cc(OCOC)c1
InChIInChI=1S/C11H16O4/c1-9-4-10(14-7-12-2)6-11(5-9)15-8-13-3/h4-6H,7-8H2,1-3H3
InChIKeyJBJGMEIQNATBCH-UHFFFAOYSA-N
XLogP1.96
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(methoxymethoxy)-5-methylbenzene?
The IUPAC name of 1,3-bis(methoxymethoxy)-5-methylbenzene (CID 11148547) is 1,3-bis(methoxymethoxy)-5-methylbenzene.
What is the SMILES notation for 1,3-bis(methoxymethoxy)-5-methylbenzene?
The canonical SMILES for 1,3-bis(methoxymethoxy)-5-methylbenzene is COCOc1cc(C)cc(OCOC)c1.
What is the InChIKey of 1,3-bis(methoxymethoxy)-5-methylbenzene?
The InChIKey is JBJGMEIQNATBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-9-4-10(14-7-12-2)6-11(5-9)15-8-13-3/h4-6H,7-8H2,1-3H3.
What are the key properties of 1,3-bis(methoxymethoxy)-5-methylbenzene?
1,3-bis(methoxymethoxy)-5-methylbenzene has a molecular weight of 212.24 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(methoxymethoxy)-5-methylbenzene is sourced from PubChem (CID 11148547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).