1-tert-butyl-2,3,4,5-tetramethoxybenzene

C14H22O4 — CID 101460863

IUPAC1-tert-butyl-2,3,4,5-tetramethoxybenzene
SMILESCOc1cc(C(C)(C)C)c(OC)c(OC)c1OC
InChIInChI=1S/C14H22O4/c1-14(2,3)9-8-10(15-4)12(17-6)13(18-7)11(9)16-5/h8H,1-7H3
InChIKeyUHOKGUAIEOZRGD-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.02
Rot. Bonds4

About 1-tert-butyl-2,3,4,5-tetramethoxybenzene

1-tert-butyl-2,3,4,5-tetramethoxybenzene (PubChem CID 101460863) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-tert-butyl-2,3,4,5-tetramethoxybenzene.

Molecular Properties

Compound Name1-tert-butyl-2,3,4,5-tetramethoxybenzene
PubChem CID101460863
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name1-tert-butyl-2,3,4,5-tetramethoxybenzene
SMILESCOc1cc(C(C)(C)C)c(OC)c(OC)c1OC
InChIInChI=1S/C14H22O4/c1-14(2,3)9-8-10(15-4)12(17-6)13(18-7)11(9)16-5/h8H,1-7H3
InChIKeyUHOKGUAIEOZRGD-UHFFFAOYSA-N
XLogP3.02
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-2,3-dimethoxy-4,5-dimethylbenzene
CID 173207102
1,2-ditert-butyl-4-methoxy-5-methylbenzene
CID 90688741
methane;1,2,3,4-tetramethoxy-5-methylbenzene
CID 157228165
1-tert-butyl-4-iodo-2,5-dimethoxybenzene
CID 18788666
(3,5-ditert-butyl-4-methoxyphenyl)boronic acid
CID 74891306
5-tert-butyl-1,2-dimethoxy-3-methylbenzene;ethane
CID 143060734
(3,5-ditert-butyl-4-methoxyphenyl)-methylsilane
CID 123380319
2-tert-butyl-4-methoxy-1-methylanthracene
CID 155456277
1,5-ditert-butyl-3-iodo-2-methoxybenzene
CID 13068630
CID 58741303
CID 58741303
(3,5-ditert-butyl-4-methoxyphenyl)-iodophosphane
CID 174881075
1,3-ditert-butyl-2-methoxy-5-phosphorosobenzene
CID 70140823

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,3,4,5-tetramethoxybenzene?
The IUPAC name of 1-tert-butyl-2,3,4,5-tetramethoxybenzene (CID 101460863) is 1-tert-butyl-2,3,4,5-tetramethoxybenzene.
What is the SMILES notation for 1-tert-butyl-2,3,4,5-tetramethoxybenzene?
The canonical SMILES for 1-tert-butyl-2,3,4,5-tetramethoxybenzene is COc1cc(C(C)(C)C)c(OC)c(OC)c1OC.
What is the InChIKey of 1-tert-butyl-2,3,4,5-tetramethoxybenzene?
The InChIKey is UHOKGUAIEOZRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-14(2,3)9-8-10(15-4)12(17-6)13(18-7)11(9)16-5/h8H,1-7H3.
What are the key properties of 1-tert-butyl-2,3,4,5-tetramethoxybenzene?
1-tert-butyl-2,3,4,5-tetramethoxybenzene has a molecular weight of 254.33 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,3,4,5-tetramethoxybenzene is sourced from PubChem (CID 101460863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).