1-(2,2-dimethylpropyl)-4-[3-(2-methylpropoxy)propoxy]benzene

C18H30O2 — CID 14516229

IUPAC1-(2,2-dimethylpropyl)-4-[3-(2-methylpropoxy)propoxy]benzene
SMILESCC(C)COCCCOc1ccc(CC(C)(C)C)cc1
InChIInChI=1S/C18H30O2/c1-15(2)14-19-11-6-12-20-17-9-7-16(8-10-17)13-18(3,4)5/h7-10,15H,6,11-14H2,1-5H3
InChIKeyYAPZONGWUNHYFV-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.72
Rot. Bonds8

About 1-(2,2-dimethylpropyl)-4-[3-(2-methylpropoxy)propoxy]benzene

1-(2,2-dimethylpropyl)-4-[3-(2-methylpropoxy)propoxy]benzene (PubChem CID 14516229) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-[3-(2-methylpropoxy)propoxy]benzene.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-[3-(2-methylpropoxy)propoxy]benzene
PubChem CID14516229
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name1-(2,2-dimethylpropyl)-4-[3-(2-methylpropoxy)propoxy]benzene
SMILESCC(C)COCCCOc1ccc(CC(C)(C)C)cc1
InChIInChI=1S/C18H30O2/c1-15(2)14-19-11-6-12-20-17-9-7-16(8-10-17)13-18(3,4)5/h7-10,15H,6,11-14H2,1-5H3
InChIKeyYAPZONGWUNHYFV-UHFFFAOYSA-N
XLogP4.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-[3-(2-methylpropoxy)propoxy]benzene?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-[3-(2-methylpropoxy)propoxy]benzene (CID 14516229) is 1-(2,2-dimethylpropyl)-4-[3-(2-methylpropoxy)propoxy]benzene.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-[3-(2-methylpropoxy)propoxy]benzene?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-[3-(2-methylpropoxy)propoxy]benzene is CC(C)COCCCOc1ccc(CC(C)(C)C)cc1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-[3-(2-methylpropoxy)propoxy]benzene?
The InChIKey is YAPZONGWUNHYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-15(2)14-19-11-6-12-20-17-9-7-16(8-10-17)13-18(3,4)5/h7-10,15H,6,11-14H2,1-5H3.
What are the key properties of 1-(2,2-dimethylpropyl)-4-[3-(2-methylpropoxy)propoxy]benzene?
1-(2,2-dimethylpropyl)-4-[3-(2-methylpropoxy)propoxy]benzene has a molecular weight of 278.44 g/mol, XLogP of 4.72, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-[3-(2-methylpropoxy)propoxy]benzene is sourced from PubChem (CID 14516229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).