ethylbenzene;methoxyethane

C14H26O2 — CID 90842646

IUPACethylbenzene;methoxyethane
SMILESCCOC.CCOC.CCc1ccccc1
InChIInChI=1S/C8H10.2C3H8O/c1-2-8-6-4-3-5-7-8;2*1-3-4-2/h3-7H,2H2,1H3;2*3H2,1-2H3
InChIKeyDPKBOFDLPIJTBW-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.55
Rot. Bonds3

About ethylbenzene;methoxyethane

ethylbenzene;methoxyethane (PubChem CID 90842646) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is ethylbenzene;methoxyethane.

Molecular Properties

Compound Nameethylbenzene;methoxyethane
PubChem CID90842646
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Nameethylbenzene;methoxyethane
SMILESCCOC.CCOC.CCc1ccccc1
InChIInChI=1S/C8H10.2C3H8O/c1-2-8-6-4-3-5-7-8;2*1-3-4-2/h3-7H,2H2,1H3;2*3H2,1-2H3
InChIKeyDPKBOFDLPIJTBW-UHFFFAOYSA-N
XLogP3.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;ethylbenzene;methoxymethane
CID 91307642
ethylcyclodecapentaene
CID 90861705
sulfanium ethylbenzene
CID 22726309
ethane;ethylbenzene
CID 90887003
ethylbenzene;molybdenum
CID 161189179
chloro hypochlorite;ethylbenzene
CID 159036080
ethylbenzene;propane;hydroiodide
CID 142182216
ethane;ethylbenzene;propane
CID 91199618
ethane;ethylbenzene;methanol
CID 90833594
ethylazanium;ethylbenzene
CID 163634184
bicyclo[2.2.0]hexa-1,3,5-triene;ethylbenzene
CID 175075360
ethylbenzene;N-methylmethanamine
CID 19063869

Frequently Asked Questions

What is the IUPAC name of ethylbenzene;methoxyethane?
The IUPAC name of ethylbenzene;methoxyethane (CID 90842646) is ethylbenzene;methoxyethane.
What is the SMILES notation for ethylbenzene;methoxyethane?
The canonical SMILES for ethylbenzene;methoxyethane is CCOC.CCOC.CCc1ccccc1.
What is the InChIKey of ethylbenzene;methoxyethane?
The InChIKey is DPKBOFDLPIJTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.2C3H8O/c1-2-8-6-4-3-5-7-8;2*1-3-4-2/h3-7H,2H2,1H3;2*3H2,1-2H3.
What are the key properties of ethylbenzene;methoxyethane?
ethylbenzene;methoxyethane has a molecular weight of 226.36 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;methoxyethane is sourced from PubChem (CID 90842646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).