ethane;2-ethoxy-1,3-dimethylbenzene

C12H20O — CID 91163284

IUPACethane;2-ethoxy-1,3-dimethylbenzene
SMILESCC.CCOc1c(C)cccc1C
InChIInChI=1S/C10H14O.C2H6/c1-4-11-10-8(2)6-5-7-9(10)3;1-2/h5-7H,4H2,1-3H3;1-2H3
InChIKeyYCUKXXZKGVSXLI-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.73
Rot. Bonds2

About ethane;2-ethoxy-1,3-dimethylbenzene

ethane;2-ethoxy-1,3-dimethylbenzene (PubChem CID 91163284) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is ethane;2-ethoxy-1,3-dimethylbenzene.

Molecular Properties

Compound Nameethane;2-ethoxy-1,3-dimethylbenzene
PubChem CID91163284
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Nameethane;2-ethoxy-1,3-dimethylbenzene
SMILESCC.CCOc1c(C)cccc1C
InChIInChI=1S/C10H14O.C2H6/c1-4-11-10-8(2)6-5-7-9(10)3;1-2/h5-7H,4H2,1-3H3;1-2H3
InChIKeyYCUKXXZKGVSXLI-UHFFFAOYSA-N
XLogP3.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethoxy-1,3-dimethylbenzene?
The IUPAC name of ethane;2-ethoxy-1,3-dimethylbenzene (CID 91163284) is ethane;2-ethoxy-1,3-dimethylbenzene.
What is the SMILES notation for ethane;2-ethoxy-1,3-dimethylbenzene?
The canonical SMILES for ethane;2-ethoxy-1,3-dimethylbenzene is CC.CCOc1c(C)cccc1C.
What is the InChIKey of ethane;2-ethoxy-1,3-dimethylbenzene?
The InChIKey is YCUKXXZKGVSXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C2H6/c1-4-11-10-8(2)6-5-7-9(10)3;1-2/h5-7H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;2-ethoxy-1,3-dimethylbenzene?
ethane;2-ethoxy-1,3-dimethylbenzene has a molecular weight of 180.29 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethoxy-1,3-dimethylbenzene is sourced from PubChem (CID 91163284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).