1,4-bis(methoxymethoxymethyl)benzene

C12H18O4 — CID 121009952

IUPAC1,4-bis(methoxymethoxymethyl)benzene
SMILESCOCOCc1ccc(COCOC)cc1
InChIInChI=1S/C12H18O4/c1-13-9-15-7-11-3-5-12(6-4-11)8-16-10-14-2/h3-6H,7-10H2,1-2H3
InChIKeyPCEDIDNVVYRPBF-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.93
Rot. Bonds8

About 1,4-bis(methoxymethoxymethyl)benzene

1,4-bis(methoxymethoxymethyl)benzene (PubChem CID 121009952) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 1,4-bis(methoxymethoxymethyl)benzene.

Molecular Properties

Compound Name1,4-bis(methoxymethoxymethyl)benzene
PubChem CID121009952
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name1,4-bis(methoxymethoxymethyl)benzene
SMILESCOCOCc1ccc(COCOC)cc1
InChIInChI=1S/C12H18O4/c1-13-9-15-7-11-3-5-12(6-4-11)8-16-10-14-2/h3-6H,7-10H2,1-2H3
InChIKeyPCEDIDNVVYRPBF-UHFFFAOYSA-N
XLogP1.93
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethynyl-4-(methoxymethoxymethyl)benzene
CID 14481693
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene
CID 21396720
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene;hydrochloride
CID 67583384
1-(methoxymethoxymethyl)-4-pentan-2-ylbenzene
CID 131994370
5-(methoxymethoxymethyl)-2-methylpyridine
CID 10844808
2,2,2-trifluoro-1-[4-(methoxymethoxymethyl)phenyl]ethanone
CID 14709558
5-(methoxymethoxymethyl)-1,3-benzodioxole
CID 20689919
2-bromo-1-(methoxymethoxy)-4-(methoxymethoxymethyl)benzene
CID 57310009
1-(methoxymethoxy)-4-(methoxymethyl)benzene
CID 59017141
1-(2-methoxyethoxymethoxymethyl)-4-methylsulfanylbenzene
CID 101092504
magnesium;methoxymethoxymethylbenzene;bromide
CID 15973074
1-methoxy-4-[[4-(methoxymethoxy)-2-methylidenebutoxy]methyl]benzene
CID 89374249

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(methoxymethoxymethyl)benzene?
The IUPAC name of 1,4-bis(methoxymethoxymethyl)benzene (CID 121009952) is 1,4-bis(methoxymethoxymethyl)benzene.
What is the SMILES notation for 1,4-bis(methoxymethoxymethyl)benzene?
The canonical SMILES for 1,4-bis(methoxymethoxymethyl)benzene is COCOCc1ccc(COCOC)cc1.
What is the InChIKey of 1,4-bis(methoxymethoxymethyl)benzene?
The InChIKey is PCEDIDNVVYRPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-13-9-15-7-11-3-5-12(6-4-11)8-16-10-14-2/h3-6H,7-10H2,1-2H3.
What are the key properties of 1,4-bis(methoxymethoxymethyl)benzene?
1,4-bis(methoxymethoxymethyl)benzene has a molecular weight of 226.27 g/mol, XLogP of 1.93, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(methoxymethoxymethyl)benzene is sourced from PubChem (CID 121009952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).