1-[di(propan-2-yloxy)methyl]-2-methylbenzene

C14H22O2 — CID 22034845

IUPAC1-[di(propan-2-yloxy)methyl]-2-methylbenzene
SMILESCc1ccccc1C(OC(C)C)OC(C)C
InChIInChI=1S/C14H22O2/c1-10(2)15-14(16-11(3)4)13-9-7-6-8-12(13)5/h6-11,14H,1-5H3
InChIKeySDEKCPVBHOMTAD-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.84
Rot. Bonds5

About 1-[di(propan-2-yloxy)methyl]-2-methylbenzene

1-[di(propan-2-yloxy)methyl]-2-methylbenzene (PubChem CID 22034845) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[di(propan-2-yloxy)methyl]-2-methylbenzene.

Molecular Properties

Compound Name1-[di(propan-2-yloxy)methyl]-2-methylbenzene
PubChem CID22034845
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-[di(propan-2-yloxy)methyl]-2-methylbenzene
SMILESCc1ccccc1C(OC(C)C)OC(C)C
InChIInChI=1S/C14H22O2/c1-10(2)15-14(16-11(3)4)13-9-7-6-8-12(13)5/h6-11,14H,1-5H3
InChIKeySDEKCPVBHOMTAD-UHFFFAOYSA-N
XLogP3.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.84
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-methyl-2-(2-methyl-1-propan-2-yloxypropyl)benzene
CID 158625827
1-[bis(2-methylpropoxy)methyl]-2-methylbenzene
CID 22034846
1-[1-[2,3-dimethyl-1-(2-methylphenyl)butoxy]-2,3-dimethylbutyl]-2-methylbenzene
CID 169096953
1-methyl-2-[2-methyl-1-(2-methylphenyl)propyl]benzene
CID 14267704
O-[1-(2-methylphenyl)ethyl]hydroxylamine
CID 117104896
CID 19362082
CID 19362082
bis((1S)-1-(2-methylphenyl)ethanamine);dihydrochloride
CID 134129357
1-methyl-2-(3-methylpentan-2-yl)benzene
CID 23555669
(2S)-3-methyl-2-(2-methylphenyl)butanenitrile
CID 92978892
bis(1-methyl-2-propan-2-ylbenzene);toluene
CID 162261210
CID 174622324
CID 174622324
CID 175409940
CID 175409940

Frequently Asked Questions

What is the IUPAC name of 1-[di(propan-2-yloxy)methyl]-2-methylbenzene?
The IUPAC name of 1-[di(propan-2-yloxy)methyl]-2-methylbenzene (CID 22034845) is 1-[di(propan-2-yloxy)methyl]-2-methylbenzene.
What is the SMILES notation for 1-[di(propan-2-yloxy)methyl]-2-methylbenzene?
The canonical SMILES for 1-[di(propan-2-yloxy)methyl]-2-methylbenzene is Cc1ccccc1C(OC(C)C)OC(C)C.
What is the InChIKey of 1-[di(propan-2-yloxy)methyl]-2-methylbenzene?
The InChIKey is SDEKCPVBHOMTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-10(2)15-14(16-11(3)4)13-9-7-6-8-12(13)5/h6-11,14H,1-5H3.
What are the key properties of 1-[di(propan-2-yloxy)methyl]-2-methylbenzene?
1-[di(propan-2-yloxy)methyl]-2-methylbenzene has a molecular weight of 222.33 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[di(propan-2-yloxy)methyl]-2-methylbenzene is sourced from PubChem (CID 22034845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).