1-tert-butyl-2-(2,2-dimethoxyethoxy)-4-methylbenzene

C15H24O3 — CID 66222531

IUPAC1-tert-butyl-2-(2,2-dimethoxyethoxy)-4-methylbenzene
SMILESCOC(COc1cc(C)ccc1C(C)(C)C)OC
InChIInChI=1S/C15H24O3/c1-11-7-8-12(15(2,3)4)13(9-11)18-10-14(16-5)17-6/h7-9,14H,10H2,1-6H3
InChIKeyOKCQXIHZLHQKHO-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.29
Rot. Bonds5

About 1-tert-butyl-2-(2,2-dimethoxyethoxy)-4-methylbenzene

1-tert-butyl-2-(2,2-dimethoxyethoxy)-4-methylbenzene (PubChem CID 66222531) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 1-tert-butyl-2-(2,2-dimethoxyethoxy)-4-methylbenzene.

Molecular Properties

Compound Name1-tert-butyl-2-(2,2-dimethoxyethoxy)-4-methylbenzene
PubChem CID66222531
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name1-tert-butyl-2-(2,2-dimethoxyethoxy)-4-methylbenzene
SMILESCOC(COc1cc(C)ccc1C(C)(C)C)OC
InChIInChI=1S/C15H24O3/c1-11-7-8-12(15(2,3)4)13(9-11)18-10-14(16-5)17-6/h7-9,14H,10H2,1-6H3
InChIKeyOKCQXIHZLHQKHO-UHFFFAOYSA-N
XLogP3.29
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-bromo-3-(2-tert-butyl-5-methylphenoxy)propanoate
CID 81092646
1-(2-tert-butyl-5-methylphenoxy)-N-ethyl-3-methoxypropan-2-amine
CID 107506741
2-[(2-tert-butyl-5-methylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366737
1-tert-butyl-2-(2-chloroethoxy)-4-methylbenzene
CID 43135637
2-(4-bromobutoxy)-1-tert-butyl-4-methylbenzene
CID 43165224
6-(2-tert-butyl-5-methylphenoxy)hexan-3-ol
CID 106802628
N-[2-(2-tert-butyl-5-methylphenoxy)ethyl]-2-methylpropan-1-amine
CID 55196770
3-(2-tert-butyl-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 2300142
1-amino-3-(2-tert-butyl-5-methylphenoxy)-2-methylpropan-2-ol
CID 64813765
5-[(2-tert-butyl-5-methylphenoxy)methyl]pyridin-2-amine
CID 62193136
2-(2-tert-butyl-5-methylphenoxy)-N-methylacetamide
CID 19168129
4-(2-tert-butyl-5-methylphenoxy)-2-(methylamino)butan-1-ol
CID 64811237

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(2,2-dimethoxyethoxy)-4-methylbenzene?
The IUPAC name of 1-tert-butyl-2-(2,2-dimethoxyethoxy)-4-methylbenzene (CID 66222531) is 1-tert-butyl-2-(2,2-dimethoxyethoxy)-4-methylbenzene.
What is the SMILES notation for 1-tert-butyl-2-(2,2-dimethoxyethoxy)-4-methylbenzene?
The canonical SMILES for 1-tert-butyl-2-(2,2-dimethoxyethoxy)-4-methylbenzene is COC(COc1cc(C)ccc1C(C)(C)C)OC.
What is the InChIKey of 1-tert-butyl-2-(2,2-dimethoxyethoxy)-4-methylbenzene?
The InChIKey is OKCQXIHZLHQKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-11-7-8-12(15(2,3)4)13(9-11)18-10-14(16-5)17-6/h7-9,14H,10H2,1-6H3.
What are the key properties of 1-tert-butyl-2-(2,2-dimethoxyethoxy)-4-methylbenzene?
1-tert-butyl-2-(2,2-dimethoxyethoxy)-4-methylbenzene has a molecular weight of 252.35 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(2,2-dimethoxyethoxy)-4-methylbenzene is sourced from PubChem (CID 66222531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).