ethylbenzene;methoxyethane

C11H17O- — CID 91414142

IUPACethylbenzene;methoxyethane
SMILESCCOC.CCc1[c-]cccc1
InChIInChI=1S/C8H9.C3H8O/c1-2-8-6-4-3-5-7-8;1-3-4-2/h3-6H,2H2,1H3;3H2,1-2H3/q-1;
InChIKeyLXPPNOZRUDLWOJ-UHFFFAOYSA-N
MW165.26 g/mol
LogP2.70
Rot. Bonds2

About ethylbenzene;methoxyethane

ethylbenzene;methoxyethane (PubChem CID 91414142) has the molecular formula C11H17O- and a molecular weight of 165.26 g/mol. Its IUPAC name is ethylbenzene;methoxyethane.

Molecular Properties

Compound Nameethylbenzene;methoxyethane
PubChem CID91414142
Molecular FormulaC11H17O-
Molecular Weight165.26 g/mol
Exact Mass165.13
IUPAC Nameethylbenzene;methoxyethane
SMILESCCOC.CCc1[c-]cccc1
InChIInChI=1S/C8H9.C3H8O/c1-2-8-6-4-3-5-7-8;1-3-4-2/h3-6H,2H2,1H3;3H2,1-2H3/q-1;
InChIKeyLXPPNOZRUDLWOJ-UHFFFAOYSA-N
XLogP2.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethylbenzene;methoxyethane?
The IUPAC name of ethylbenzene;methoxyethane (CID 91414142) is ethylbenzene;methoxyethane.
What is the SMILES notation for ethylbenzene;methoxyethane?
The canonical SMILES for ethylbenzene;methoxyethane is CCOC.CCc1[c-]cccc1.
What is the InChIKey of ethylbenzene;methoxyethane?
The InChIKey is LXPPNOZRUDLWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9.C3H8O/c1-2-8-6-4-3-5-7-8;1-3-4-2/h3-6H,2H2,1H3;3H2,1-2H3/q-1;.
What are the key properties of ethylbenzene;methoxyethane?
ethylbenzene;methoxyethane has a molecular weight of 165.26 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;methoxyethane is sourced from PubChem (CID 91414142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).