2-(2,2-dimethylpropyl)-1-(methoxymethoxy)-3-methylbenzene

C14H22O2 — CID 163974624

IUPAC2-(2,2-dimethylpropyl)-1-(methoxymethoxy)-3-methylbenzene
SMILESCOCOc1cccc(C)c1CC(C)(C)C
InChIInChI=1S/C14H22O2/c1-11-7-6-8-13(16-10-15-5)12(11)9-14(2,3)4/h6-8H,9-10H2,1-5H3
InChIKeySSZSKORJVPZWMC-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.57
Rot. Bonds4

About 2-(2,2-dimethylpropyl)-1-(methoxymethoxy)-3-methylbenzene

2-(2,2-dimethylpropyl)-1-(methoxymethoxy)-3-methylbenzene (PubChem CID 163974624) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-1-(methoxymethoxy)-3-methylbenzene.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-1-(methoxymethoxy)-3-methylbenzene
PubChem CID163974624
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-(2,2-dimethylpropyl)-1-(methoxymethoxy)-3-methylbenzene
SMILESCOCOc1cccc(C)c1CC(C)(C)C
InChIInChI=1S/C14H22O2/c1-11-7-6-8-13(16-10-15-5)12(11)9-14(2,3)4/h6-8H,9-10H2,1-5H3
InChIKeySSZSKORJVPZWMC-UHFFFAOYSA-N
XLogP3.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.57
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

2-ethyl-1,3-bis(methoxymethoxy)benzene
CID 141101427
1-(methoxymethoxy)-3-methyl-2-phenylbenzene
CID 58214661
2-(methoxymethoxy)-6-methylbenzonitrile
CID 58963842
1-chloro-2-(2,2-dimethylpropyl)-3-methylbenzene
CID 118259234
[2-methoxy-6-(methoxymethoxy)phenyl]methanamine
CID 71420177
2-chloro-3-(methoxymethoxy)pyridine
CID 57430080
2-fluoro-3-(methoxymethoxy)phenol
CID 125115962
3-(methoxymethoxy)-4-methylaniline
CID 65365143
1,5-bis(methoxymethoxy)-2-methylanthracene
CID 11186038
N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine
CID 114318997
2-ethyl-6-(methoxymethoxy)benzaldehyde
CID 59509177
2-bromo-1-chloro-3-(methoxymethoxy)benzene
CID 164894389

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-1-(methoxymethoxy)-3-methylbenzene?
The IUPAC name of 2-(2,2-dimethylpropyl)-1-(methoxymethoxy)-3-methylbenzene (CID 163974624) is 2-(2,2-dimethylpropyl)-1-(methoxymethoxy)-3-methylbenzene.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-1-(methoxymethoxy)-3-methylbenzene?
The canonical SMILES for 2-(2,2-dimethylpropyl)-1-(methoxymethoxy)-3-methylbenzene is COCOc1cccc(C)c1CC(C)(C)C.
What is the InChIKey of 2-(2,2-dimethylpropyl)-1-(methoxymethoxy)-3-methylbenzene?
The InChIKey is SSZSKORJVPZWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-11-7-6-8-13(16-10-15-5)12(11)9-14(2,3)4/h6-8H,9-10H2,1-5H3.
What are the key properties of 2-(2,2-dimethylpropyl)-1-(methoxymethoxy)-3-methylbenzene?
2-(2,2-dimethylpropyl)-1-(methoxymethoxy)-3-methylbenzene has a molecular weight of 222.33 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-1-(methoxymethoxy)-3-methylbenzene is sourced from PubChem (CID 163974624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).