1,4-bis(dimethoxymethyl)benzene

C12H18O4 — CID 3015946

IUPAC1,4-bis(dimethoxymethyl)benzene
SMILESCOC(OC)c1ccc(C(OC)OC)cc1
InChIInChI=1S/C12H18O4/c1-13-11(14-2)9-5-7-10(8-6-9)12(15-3)16-4/h5-8,11-12H,1-4H3
InChIKeyBICKDMSEOVJSQC-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.27
Rot. Bonds6

About 1,4-bis(dimethoxymethyl)benzene

1,4-bis(dimethoxymethyl)benzene (PubChem CID 3015946) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 1,4-bis(dimethoxymethyl)benzene.

Molecular Properties

Compound Name1,4-bis(dimethoxymethyl)benzene
PubChem CID3015946
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name1,4-bis(dimethoxymethyl)benzene
SMILESCOC(OC)c1ccc(C(OC)OC)cc1
InChIInChI=1S/C12H18O4/c1-13-11(14-2)9-5-7-10(8-6-9)12(15-3)16-4/h5-8,11-12H,1-4H3
InChIKeyBICKDMSEOVJSQC-UHFFFAOYSA-N
XLogP2.27
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.27
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 1,4-bis(dimethoxymethyl)benzene?
The IUPAC name of 1,4-bis(dimethoxymethyl)benzene (CID 3015946) is 1,4-bis(dimethoxymethyl)benzene.
What is the SMILES notation for 1,4-bis(dimethoxymethyl)benzene?
The canonical SMILES for 1,4-bis(dimethoxymethyl)benzene is COC(OC)c1ccc(C(OC)OC)cc1.
What is the InChIKey of 1,4-bis(dimethoxymethyl)benzene?
The InChIKey is BICKDMSEOVJSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-13-11(14-2)9-5-7-10(8-6-9)12(15-3)16-4/h5-8,11-12H,1-4H3.
What are the key properties of 1,4-bis(dimethoxymethyl)benzene?
1,4-bis(dimethoxymethyl)benzene has a molecular weight of 226.27 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(dimethoxymethyl)benzene is sourced from PubChem (CID 3015946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).