4-tert-butyl-1,2-bis[(2-methylpropan-2-yl)oxymethyl]benzene

C20H34O2 — CID 141200512

IUPAC4-tert-butyl-1,2-bis[(2-methylpropan-2-yl)oxymethyl]benzene
SMILESCC(C)(C)OCc1ccc(C(C)(C)C)cc1COC(C)(C)C
InChIInChI=1S/C20H34O2/c1-18(2,3)17-11-10-15(13-21-19(4,5)6)16(12-17)14-22-20(7,8)9/h10-12H,13-14H2,1-9H3
InChIKeyBWZMYHDXACIXNC-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.61
Rot. Bonds4

About 4-tert-butyl-1,2-bis[(2-methylpropan-2-yl)oxymethyl]benzene

4-tert-butyl-1,2-bis[(2-methylpropan-2-yl)oxymethyl]benzene (PubChem CID 141200512) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 4-tert-butyl-1,2-bis[(2-methylpropan-2-yl)oxymethyl]benzene.

Molecular Properties

Compound Name4-tert-butyl-1,2-bis[(2-methylpropan-2-yl)oxymethyl]benzene
PubChem CID141200512
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name4-tert-butyl-1,2-bis[(2-methylpropan-2-yl)oxymethyl]benzene
SMILESCC(C)(C)OCc1ccc(C(C)(C)C)cc1COC(C)(C)C
InChIInChI=1S/C20H34O2/c1-18(2,3)17-11-10-15(13-21-19(4,5)6)16(12-17)14-22-20(7,8)9/h10-12H,13-14H2,1-9H3
InChIKeyBWZMYHDXACIXNC-UHFFFAOYSA-N
XLogP5.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,2-bis[(2-methylpropan-2-yl)oxymethyl]benzene?
The IUPAC name of 4-tert-butyl-1,2-bis[(2-methylpropan-2-yl)oxymethyl]benzene (CID 141200512) is 4-tert-butyl-1,2-bis[(2-methylpropan-2-yl)oxymethyl]benzene.
What is the SMILES notation for 4-tert-butyl-1,2-bis[(2-methylpropan-2-yl)oxymethyl]benzene?
The canonical SMILES for 4-tert-butyl-1,2-bis[(2-methylpropan-2-yl)oxymethyl]benzene is CC(C)(C)OCc1ccc(C(C)(C)C)cc1COC(C)(C)C.
What is the InChIKey of 4-tert-butyl-1,2-bis[(2-methylpropan-2-yl)oxymethyl]benzene?
The InChIKey is BWZMYHDXACIXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c1-18(2,3)17-11-10-15(13-21-19(4,5)6)16(12-17)14-22-20(7,8)9/h10-12H,13-14H2,1-9H3.
What are the key properties of 4-tert-butyl-1,2-bis[(2-methylpropan-2-yl)oxymethyl]benzene?
4-tert-butyl-1,2-bis[(2-methylpropan-2-yl)oxymethyl]benzene has a molecular weight of 306.49 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,2-bis[(2-methylpropan-2-yl)oxymethyl]benzene is sourced from PubChem (CID 141200512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).