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

C16H26O2 — CID 91197714

IUPAC2-ethyl-1,3-bis[(2-methylpropan-2-yl)oxy]benzene
SMILESCCc1c(OC(C)(C)C)cccc1OC(C)(C)C
InChIInChI=1S/C16H26O2/c1-8-12-13(17-15(2,3)4)10-9-11-14(12)18-16(5,6)7/h9-11H,8H2,1-7H3
InChIKeyDGYWFCVRAFNYCQ-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.60
Rot. Bonds3

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

2-ethyl-1,3-bis[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 91197714) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2-ethyl-1,3-bis[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name2-ethyl-1,3-bis[(2-methylpropan-2-yl)oxy]benzene
PubChem CID91197714
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name2-ethyl-1,3-bis[(2-methylpropan-2-yl)oxy]benzene
SMILESCCc1c(OC(C)(C)C)cccc1OC(C)(C)C
InChIInChI=1S/C16H26O2/c1-8-12-13(17-15(2,3)4)10-9-11-14(12)18-16(5,6)7/h9-11H,8H2,1-7H3
InChIKeyDGYWFCVRAFNYCQ-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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Related Compounds

2-chloro-1,3-bis[(2-methylpropan-2-yl)oxy]benzene
CID 68785646
2-ethyl-1-fluoro-3-(trifluoromethoxy)benzene
CID 131169258
2-hex-1-ynyl-1,3-bis[(2-methylpropan-2-yl)oxy]benzene
CID 10828230
2-ethyl-3-(trifluoromethoxy)benzenethiol
CID 170999052
1,2-dichloro-3-[(2-methylpropan-2-yl)oxy]benzene
CID 162775400
2,3-bis[(2-methylpropan-2-yl)oxy]phenol
CID 22734690
2-ethyl-1,3-bis(methoxymethoxy)benzene
CID 141101427
1-chloro-2-(chloromethyl)-3-(2-methylbutan-2-yloxy)benzene
CID 29004046
2-fluoro-1-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethoxy)benzene
CID 118333609
1-ethoxy-2-ethyl-3-methoxybenzene
CID 155116289
CID 155601617
CID 155601617
CID 155601631
CID 155601631

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-bis[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 2-ethyl-1,3-bis[(2-methylpropan-2-yl)oxy]benzene (CID 91197714) is 2-ethyl-1,3-bis[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 2-ethyl-1,3-bis[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 2-ethyl-1,3-bis[(2-methylpropan-2-yl)oxy]benzene is CCc1c(OC(C)(C)C)cccc1OC(C)(C)C.
What is the InChIKey of 2-ethyl-1,3-bis[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is DGYWFCVRAFNYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-8-12-13(17-15(2,3)4)10-9-11-14(12)18-16(5,6)7/h9-11H,8H2,1-7H3.
What are the key properties of 2-ethyl-1,3-bis[(2-methylpropan-2-yl)oxy]benzene?
2-ethyl-1,3-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 2-ethyl-1,3-bis[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 91197714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).