1,4-dimethoxy-2,3,5-trimethyl-6-[(2-methylpropan-2-yl)oxymethyl]benzene

C16H26O3 — CID 134894803

IUPAC1,4-dimethoxy-2,3,5-trimethyl-6-[(2-methylpropan-2-yl)oxymethyl]benzene
SMILESCOc1c(C)c(C)c(OC)c(COC(C)(C)C)c1C
InChIInChI=1S/C16H26O3/c1-10-11(2)15(18-8)13(9-19-16(4,5)6)12(3)14(10)17-7/h9H2,1-8H3
InChIKeyNTJBCJQPACJKRB-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.94
Rot. Bonds4

About 1,4-dimethoxy-2,3,5-trimethyl-6-[(2-methylpropan-2-yl)oxymethyl]benzene

1,4-dimethoxy-2,3,5-trimethyl-6-[(2-methylpropan-2-yl)oxymethyl]benzene (PubChem CID 134894803) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1,4-dimethoxy-2,3,5-trimethyl-6-[(2-methylpropan-2-yl)oxymethyl]benzene.

Molecular Properties

Compound Name1,4-dimethoxy-2,3,5-trimethyl-6-[(2-methylpropan-2-yl)oxymethyl]benzene
PubChem CID134894803
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name1,4-dimethoxy-2,3,5-trimethyl-6-[(2-methylpropan-2-yl)oxymethyl]benzene
SMILESCOc1c(C)c(C)c(OC)c(COC(C)(C)C)c1C
InChIInChI=1S/C16H26O3/c1-10-11(2)15(18-8)13(9-19-16(4,5)6)12(3)14(10)17-7/h9H2,1-8H3
InChIKeyNTJBCJQPACJKRB-UHFFFAOYSA-N
XLogP3.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxy-2,3,5-trimethyl-6-[(2-methylpropan-2-yl)oxymethyl]benzene?
The IUPAC name of 1,4-dimethoxy-2,3,5-trimethyl-6-[(2-methylpropan-2-yl)oxymethyl]benzene (CID 134894803) is 1,4-dimethoxy-2,3,5-trimethyl-6-[(2-methylpropan-2-yl)oxymethyl]benzene.
What is the SMILES notation for 1,4-dimethoxy-2,3,5-trimethyl-6-[(2-methylpropan-2-yl)oxymethyl]benzene?
The canonical SMILES for 1,4-dimethoxy-2,3,5-trimethyl-6-[(2-methylpropan-2-yl)oxymethyl]benzene is COc1c(C)c(C)c(OC)c(COC(C)(C)C)c1C.
What is the InChIKey of 1,4-dimethoxy-2,3,5-trimethyl-6-[(2-methylpropan-2-yl)oxymethyl]benzene?
The InChIKey is NTJBCJQPACJKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-10-11(2)15(18-8)13(9-19-16(4,5)6)12(3)14(10)17-7/h9H2,1-8H3.
What are the key properties of 1,4-dimethoxy-2,3,5-trimethyl-6-[(2-methylpropan-2-yl)oxymethyl]benzene?
1,4-dimethoxy-2,3,5-trimethyl-6-[(2-methylpropan-2-yl)oxymethyl]benzene has a molecular weight of 266.38 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxy-2,3,5-trimethyl-6-[(2-methylpropan-2-yl)oxymethyl]benzene is sourced from PubChem (CID 134894803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).