1-[bis[(2-methylpropan-2-yl)oxy]methyl]-4-methylbenzene

C16H26O2 — CID 139763296

IUPAC1-[bis[(2-methylpropan-2-yl)oxy]methyl]-4-methylbenzene
SMILESCc1ccc(C(OC(C)(C)C)OC(C)(C)C)cc1
InChIInChI=1S/C16H26O2/c1-12-8-10-13(11-9-12)14(17-15(2,3)4)18-16(5,6)7/h8-11,14H,1-7H3
InChIKeyGLRDWVHCJKZTCO-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.62
Rot. Bonds3

About 1-[bis[(2-methylpropan-2-yl)oxy]methyl]-4-methylbenzene

1-[bis[(2-methylpropan-2-yl)oxy]methyl]-4-methylbenzene (PubChem CID 139763296) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-[bis[(2-methylpropan-2-yl)oxy]methyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[bis[(2-methylpropan-2-yl)oxy]methyl]-4-methylbenzene
PubChem CID139763296
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-[bis[(2-methylpropan-2-yl)oxy]methyl]-4-methylbenzene
SMILESCc1ccc(C(OC(C)(C)C)OC(C)(C)C)cc1
InChIInChI=1S/C16H26O2/c1-12-8-10-13(11-9-12)14(17-15(2,3)4)18-16(5,6)7/h8-11,14H,1-7H3
InChIKeyGLRDWVHCJKZTCO-UHFFFAOYSA-N
XLogP4.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.62
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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Frequently Asked Questions

What is the IUPAC name of 1-[bis[(2-methylpropan-2-yl)oxy]methyl]-4-methylbenzene?
The IUPAC name of 1-[bis[(2-methylpropan-2-yl)oxy]methyl]-4-methylbenzene (CID 139763296) is 1-[bis[(2-methylpropan-2-yl)oxy]methyl]-4-methylbenzene.
What is the SMILES notation for 1-[bis[(2-methylpropan-2-yl)oxy]methyl]-4-methylbenzene?
The canonical SMILES for 1-[bis[(2-methylpropan-2-yl)oxy]methyl]-4-methylbenzene is Cc1ccc(C(OC(C)(C)C)OC(C)(C)C)cc1.
What is the InChIKey of 1-[bis[(2-methylpropan-2-yl)oxy]methyl]-4-methylbenzene?
The InChIKey is GLRDWVHCJKZTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-12-8-10-13(11-9-12)14(17-15(2,3)4)18-16(5,6)7/h8-11,14H,1-7H3.
What are the key properties of 1-[bis[(2-methylpropan-2-yl)oxy]methyl]-4-methylbenzene?
1-[bis[(2-methylpropan-2-yl)oxy]methyl]-4-methylbenzene has a molecular weight of 250.38 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis[(2-methylpropan-2-yl)oxy]methyl]-4-methylbenzene is sourced from PubChem (CID 139763296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).