1,4-bis(2-ethoxypropan-2-yl)benzene

C16H26O2 — CID 54144220

IUPAC1,4-bis(2-ethoxypropan-2-yl)benzene
SMILESCCOC(C)(C)c1ccc(C(C)(C)OCC)cc1
InChIInChI=1S/C16H26O2/c1-7-17-15(3,4)13-9-11-14(12-10-13)16(5,6)18-8-2/h9-12H,7-8H2,1-6H3
InChIKeyODFGTXHYSZSGMJ-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.23
Rot. Bonds6

About 1,4-bis(2-ethoxypropan-2-yl)benzene

1,4-bis(2-ethoxypropan-2-yl)benzene (PubChem CID 54144220) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1,4-bis(2-ethoxypropan-2-yl)benzene.

Molecular Properties

Compound Name1,4-bis(2-ethoxypropan-2-yl)benzene
PubChem CID54144220
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1,4-bis(2-ethoxypropan-2-yl)benzene
SMILESCCOC(C)(C)c1ccc(C(C)(C)OCC)cc1
InChIInChI=1S/C16H26O2/c1-7-17-15(3,4)13-9-11-14(12-10-13)16(5,6)18-8-2/h9-12H,7-8H2,1-6H3
InChIKeyODFGTXHYSZSGMJ-UHFFFAOYSA-N
XLogP4.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2-ethoxypropan-2-yl)benzene?
The IUPAC name of 1,4-bis(2-ethoxypropan-2-yl)benzene (CID 54144220) is 1,4-bis(2-ethoxypropan-2-yl)benzene.
What is the SMILES notation for 1,4-bis(2-ethoxypropan-2-yl)benzene?
The canonical SMILES for 1,4-bis(2-ethoxypropan-2-yl)benzene is CCOC(C)(C)c1ccc(C(C)(C)OCC)cc1.
What is the InChIKey of 1,4-bis(2-ethoxypropan-2-yl)benzene?
The InChIKey is ODFGTXHYSZSGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-7-17-15(3,4)13-9-11-14(12-10-13)16(5,6)18-8-2/h9-12H,7-8H2,1-6H3.
What are the key properties of 1,4-bis(2-ethoxypropan-2-yl)benzene?
1,4-bis(2-ethoxypropan-2-yl)benzene has a molecular weight of 250.38 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2-ethoxypropan-2-yl)benzene is sourced from PubChem (CID 54144220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).