1-tert-butyl-4-(dimethoxymethyl)benzene

C13H20O2 — CID 11085047

IUPAC1-tert-butyl-4-(dimethoxymethyl)benzene
SMILESCOC(OC)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H20O2/c1-13(2,3)11-8-6-10(7-9-11)12(14-4)15-5/h6-9,12H,1-5H3
InChIKeyIVBVWDZBOIDWSI-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.28
Rot. Bonds3

About 1-tert-butyl-4-(dimethoxymethyl)benzene

1-tert-butyl-4-(dimethoxymethyl)benzene (PubChem CID 11085047) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-tert-butyl-4-(dimethoxymethyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-4-(dimethoxymethyl)benzene
PubChem CID11085047
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-tert-butyl-4-(dimethoxymethyl)benzene
SMILESCOC(OC)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H20O2/c1-13(2,3)11-8-6-10(7-9-11)12(14-4)15-5/h6-9,12H,1-5H3
InChIKeyIVBVWDZBOIDWSI-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-4-(1-methoxyethyl)benzene
CID 15498380
[4-(dimethoxymethyl)phenyl]-dimethylsilane
CID 150941180
1-tert-butyl-4-[2-(4-tert-butylphenyl)-1,2-difluoroethyl]benzene
CID 58671895
1,2-bis(4-tert-butylphenyl)ethane-1,2-diol
CID 21199328
[1-(4-tert-butylphenyl)-2-phosphanylethyl]phosphane
CID 144560796
(1R)-1-(4-tert-butylphenyl)ethanol
CID 6990572
1-(4-tert-butylphenyl)-N-ethyl-2,2-dimethoxyethanamine
CID 79492955
(4-tert-butylphenyl)-(3-methoxy-4-pyridinyl)methanol
CID 105066253
1-(4-tert-butylphenyl)-N-ethyl-2-methoxypropan-1-amine
CID 79616230
(4-tert-butylphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080698
1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 102293623
1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 162101087

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(dimethoxymethyl)benzene?
The IUPAC name of 1-tert-butyl-4-(dimethoxymethyl)benzene (CID 11085047) is 1-tert-butyl-4-(dimethoxymethyl)benzene.
What is the SMILES notation for 1-tert-butyl-4-(dimethoxymethyl)benzene?
The canonical SMILES for 1-tert-butyl-4-(dimethoxymethyl)benzene is COC(OC)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-(dimethoxymethyl)benzene?
The InChIKey is IVBVWDZBOIDWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-13(2,3)11-8-6-10(7-9-11)12(14-4)15-5/h6-9,12H,1-5H3.
What are the key properties of 1-tert-butyl-4-(dimethoxymethyl)benzene?
1-tert-butyl-4-(dimethoxymethyl)benzene has a molecular weight of 208.30 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(dimethoxymethyl)benzene is sourced from PubChem (CID 11085047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).