1-(2,2-dimethylpropoxymethyl)-3-methylbenzene

C13H20O — CID 91703784

IUPAC1-(2,2-dimethylpropoxymethyl)-3-methylbenzene
SMILESCc1cccc(COCC(C)(C)C)c1
InChIInChI=1S/C13H20O/c1-11-6-5-7-12(8-11)9-14-10-13(2,3)4/h5-8H,9-10H2,1-4H3
InChIKeyAGBLWVRAXHXNJN-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.56
Rot. Bonds3

About 1-(2,2-dimethylpropoxymethyl)-3-methylbenzene

1-(2,2-dimethylpropoxymethyl)-3-methylbenzene (PubChem CID 91703784) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-(2,2-dimethylpropoxymethyl)-3-methylbenzene.

Molecular Properties

Compound Name1-(2,2-dimethylpropoxymethyl)-3-methylbenzene
PubChem CID91703784
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-(2,2-dimethylpropoxymethyl)-3-methylbenzene
SMILESCc1cccc(COCC(C)(C)C)c1
InChIInChI=1S/C13H20O/c1-11-6-5-7-12(8-11)9-14-10-13(2,3)4/h5-8H,9-10H2,1-4H3
InChIKeyAGBLWVRAXHXNJN-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene
CID 15640186
N-methyl-1-[(3-methylphenyl)methoxy]methanamine
CID 142182109
(2S)-1-[(3-methylphenyl)methoxy]butan-2-amine
CID 97057916
tert-butyl-dimethyl-[(3-methylphenyl)methoxy]silane
CID 22967275
2-methyl-2-[(3-methylphenyl)methoxy]propan-1-amine
CID 65053223
1,2-dichloro-4-(2,2-dimethylpropoxymethyl)benzene
CID 21060134
1-(hexoxymethyl)-3-methylbenzene
CID 91805813
1-methyl-3-(propan-2-yloxymethyl)benzene
CID 10464662
2,2-dimethylpropane;1-(2,2-dimethylpropyl)-3-methylbenzene;ethane;propane
CID 144517677
3-[(3-methylphenyl)methoxy]phenol
CID 39243397
1-[(3-bromophenyl)methoxy]-2,2,4,4-tetramethylpentan-3-one
CID 101476488
1-[[3-(3,3-dimethylbutyl)phenyl]methyl]-3-[(3-methylphenyl)methyl]benzene
CID 140940309

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropoxymethyl)-3-methylbenzene?
The IUPAC name of 1-(2,2-dimethylpropoxymethyl)-3-methylbenzene (CID 91703784) is 1-(2,2-dimethylpropoxymethyl)-3-methylbenzene.
What is the SMILES notation for 1-(2,2-dimethylpropoxymethyl)-3-methylbenzene?
The canonical SMILES for 1-(2,2-dimethylpropoxymethyl)-3-methylbenzene is Cc1cccc(COCC(C)(C)C)c1.
What is the InChIKey of 1-(2,2-dimethylpropoxymethyl)-3-methylbenzene?
The InChIKey is AGBLWVRAXHXNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-11-6-5-7-12(8-11)9-14-10-13(2,3)4/h5-8H,9-10H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropoxymethyl)-3-methylbenzene?
1-(2,2-dimethylpropoxymethyl)-3-methylbenzene has a molecular weight of 192.30 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropoxymethyl)-3-methylbenzene is sourced from PubChem (CID 91703784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).