1,3-bis(methoxymethyl)-2,4,5,6-tetramethylbenzene

C14H22O2 — CID 12721344

IUPAC1,3-bis(methoxymethyl)-2,4,5,6-tetramethylbenzene
SMILESCOCc1c(C)c(C)c(C)c(COC)c1C
InChIInChI=1S/C14H22O2/c1-9-10(2)13(7-15-5)12(4)14(8-16-6)11(9)3/h7-8H2,1-6H3
InChIKeyYPURWSWECWEZHZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.21
Rot. Bonds4

About 1,3-bis(methoxymethyl)-2,4,5,6-tetramethylbenzene

1,3-bis(methoxymethyl)-2,4,5,6-tetramethylbenzene (PubChem CID 12721344) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1,3-bis(methoxymethyl)-2,4,5,6-tetramethylbenzene.

Molecular Properties

Compound Name1,3-bis(methoxymethyl)-2,4,5,6-tetramethylbenzene
PubChem CID12721344
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1,3-bis(methoxymethyl)-2,4,5,6-tetramethylbenzene
SMILESCOCc1c(C)c(C)c(C)c(COC)c1C
InChIInChI=1S/C14H22O2/c1-9-10(2)13(7-15-5)12(4)14(8-16-6)11(9)3/h7-8H2,1-6H3
InChIKeyYPURWSWECWEZHZ-UHFFFAOYSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(methoxymethyl)-2,3,5,6-tetramethylphenyl]ethanol
CID 605416
CID 58769397
CID 58769397
9-(methoxymethyl)-10-methylanthracene
CID 12579234
1-methoxy-4-(methoxymethyl)-2,3-dimethylnaphthalene
CID 90738504
1-chloro-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene
CID 116932279
1-bromo-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene
CID 116932278
1,3-bis(bromomethyl)-2,4,5,6-tetramethylbenzene
CID 12721345
4-bromo-2-(methoxymethyl)-3-methylphenol
CID 21099368
2,3,5-trifluoro-4-(methoxymethyl)-6-methylbenzoic acid
CID 88647166
5-(methoxymethyl)-1,2,3-trimethylbenzene
CID 23572077
1-fluoro-2,3-bis(methoxymethyl)-4-methylbenzene
CID 176835455
1,2,3,4,5,6-hexamethylbenzene;ruthenium;dihydroiodide
CID 159746066

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(methoxymethyl)-2,4,5,6-tetramethylbenzene?
The IUPAC name of 1,3-bis(methoxymethyl)-2,4,5,6-tetramethylbenzene (CID 12721344) is 1,3-bis(methoxymethyl)-2,4,5,6-tetramethylbenzene.
What is the SMILES notation for 1,3-bis(methoxymethyl)-2,4,5,6-tetramethylbenzene?
The canonical SMILES for 1,3-bis(methoxymethyl)-2,4,5,6-tetramethylbenzene is COCc1c(C)c(C)c(C)c(COC)c1C.
What is the InChIKey of 1,3-bis(methoxymethyl)-2,4,5,6-tetramethylbenzene?
The InChIKey is YPURWSWECWEZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-9-10(2)13(7-15-5)12(4)14(8-16-6)11(9)3/h7-8H2,1-6H3.
What are the key properties of 1,3-bis(methoxymethyl)-2,4,5,6-tetramethylbenzene?
1,3-bis(methoxymethyl)-2,4,5,6-tetramethylbenzene has a molecular weight of 222.33 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(methoxymethyl)-2,4,5,6-tetramethylbenzene is sourced from PubChem (CID 12721344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).