1-ethyl-3,5-bis[(2-methylpropan-2-yl)oxy]benzene

C16H26O2 — CID 174779911

IUPAC1-ethyl-3,5-bis[(2-methylpropan-2-yl)oxy]benzene
SMILESCCc1cc(OC(C)(C)C)cc(OC(C)(C)C)c1
InChIInChI=1S/C16H26O2/c1-8-12-9-13(17-15(2,3)4)11-14(10-12)18-16(5,6)7/h9-11H,8H2,1-7H3
InChIKeyQRBIMTMFUDZZNF-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.60
Rot. Bonds3

About 1-ethyl-3,5-bis[(2-methylpropan-2-yl)oxy]benzene

1-ethyl-3,5-bis[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 174779911) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-ethyl-3,5-bis[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name1-ethyl-3,5-bis[(2-methylpropan-2-yl)oxy]benzene
PubChem CID174779911
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-ethyl-3,5-bis[(2-methylpropan-2-yl)oxy]benzene
SMILESCCc1cc(OC(C)(C)C)cc(OC(C)(C)C)c1
InChIInChI=1S/C16H26O2/c1-8-12-9-13(17-15(2,3)4)11-14(10-12)18-16(5,6)7/h9-11H,8H2,1-7H3
InChIKeyQRBIMTMFUDZZNF-UHFFFAOYSA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-bis[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 1-ethyl-3,5-bis[(2-methylpropan-2-yl)oxy]benzene (CID 174779911) is 1-ethyl-3,5-bis[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 1-ethyl-3,5-bis[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 1-ethyl-3,5-bis[(2-methylpropan-2-yl)oxy]benzene is CCc1cc(OC(C)(C)C)cc(OC(C)(C)C)c1.
What is the InChIKey of 1-ethyl-3,5-bis[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is QRBIMTMFUDZZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-8-12-9-13(17-15(2,3)4)11-14(10-12)18-16(5,6)7/h9-11H,8H2,1-7H3.
What are the key properties of 1-ethyl-3,5-bis[(2-methylpropan-2-yl)oxy]benzene?
1-ethyl-3,5-bis[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 250.38 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-bis[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 174779911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).