2-(2,2-dimethylpropoxy)-1,3,5-tris(methoxymethyl)benzene

C17H28O4 — CID 157212887

IUPAC2-(2,2-dimethylpropoxy)-1,3,5-tris(methoxymethyl)benzene
SMILESCOCc1cc(COC)c(OCC(C)(C)C)c(COC)c1
InChIInChI=1S/C17H28O4/c1-17(2,3)12-21-16-14(10-19-5)7-13(9-18-4)8-15(16)11-20-6/h7-8H,9-12H2,1-6H3
InChIKeyYLFCIDQNENUCAX-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.55
Rot. Bonds8

About 2-(2,2-dimethylpropoxy)-1,3,5-tris(methoxymethyl)benzene

2-(2,2-dimethylpropoxy)-1,3,5-tris(methoxymethyl)benzene (PubChem CID 157212887) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-(2,2-dimethylpropoxy)-1,3,5-tris(methoxymethyl)benzene.

Molecular Properties

Compound Name2-(2,2-dimethylpropoxy)-1,3,5-tris(methoxymethyl)benzene
PubChem CID157212887
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Name2-(2,2-dimethylpropoxy)-1,3,5-tris(methoxymethyl)benzene
SMILESCOCc1cc(COC)c(OCC(C)(C)C)c(COC)c1
InChIInChI=1S/C17H28O4/c1-17(2,3)12-21-16-14(10-19-5)7-13(9-18-4)8-15(16)11-20-6/h7-8H,9-12H2,1-6H3
InChIKeyYLFCIDQNENUCAX-UHFFFAOYSA-N
XLogP3.55
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-3,5-bis(methoxymethyl)benzene
CID 123490967
1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117386556
2,4-bis(methoxymethyl)-6-propan-2-ylphenol
CID 141487661
2,6-dibromo-4-(methoxymethyl)pyridine
CID 139464696
[3-(carbonofluoridoyloxymethyl)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]phenyl]methyl carbonofluoridate
CID 142513519
1-(methoxymethyl)-3,5-bis(sulfinylamino)benzene
CID 88553341
3-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117453769
5-(methoxymethyl)-1,2,3-trimethylbenzene
CID 23572077
1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone
CID 117321933
2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]propan-2-ol
CID 117353559
2-[3-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanamine
CID 83886037
2-[2,6-bis(methoxymethyl)-4-methylphenoxy]ethyl 2,2-dimethylbutanoate
CID 118042291

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropoxy)-1,3,5-tris(methoxymethyl)benzene?
The IUPAC name of 2-(2,2-dimethylpropoxy)-1,3,5-tris(methoxymethyl)benzene (CID 157212887) is 2-(2,2-dimethylpropoxy)-1,3,5-tris(methoxymethyl)benzene.
What is the SMILES notation for 2-(2,2-dimethylpropoxy)-1,3,5-tris(methoxymethyl)benzene?
The canonical SMILES for 2-(2,2-dimethylpropoxy)-1,3,5-tris(methoxymethyl)benzene is COCc1cc(COC)c(OCC(C)(C)C)c(COC)c1.
What is the InChIKey of 2-(2,2-dimethylpropoxy)-1,3,5-tris(methoxymethyl)benzene?
The InChIKey is YLFCIDQNENUCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4/c1-17(2,3)12-21-16-14(10-19-5)7-13(9-18-4)8-15(16)11-20-6/h7-8H,9-12H2,1-6H3.
What are the key properties of 2-(2,2-dimethylpropoxy)-1,3,5-tris(methoxymethyl)benzene?
2-(2,2-dimethylpropoxy)-1,3,5-tris(methoxymethyl)benzene has a molecular weight of 296.41 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropoxy)-1,3,5-tris(methoxymethyl)benzene is sourced from PubChem (CID 157212887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).