ethane;ethylbenzene;methoxymethane

C14H28O2 — CID 91307642

IUPACethane;ethylbenzene;methoxymethane
SMILESCC.CCc1ccccc1.COC.COC
InChIInChI=1S/C8H10.2C2H6O.C2H6/c1-2-8-6-4-3-5-7-8;2*1-3-2;1-2/h3-7H,2H2,1H3;2*1-2H3;1-2H3
InChIKeyWEMFDNPNLRMVOE-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.80
Rot. Bonds1

About ethane;ethylbenzene;methoxymethane

ethane;ethylbenzene;methoxymethane (PubChem CID 91307642) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is ethane;ethylbenzene;methoxymethane.

Molecular Properties

Compound Nameethane;ethylbenzene;methoxymethane
PubChem CID91307642
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Nameethane;ethylbenzene;methoxymethane
SMILESCC.CCc1ccccc1.COC.COC
InChIInChI=1S/C8H10.2C2H6O.C2H6/c1-2-8-6-4-3-5-7-8;2*1-3-2;1-2/h3-7H,2H2,1H3;2*1-2H3;1-2H3
InChIKeyWEMFDNPNLRMVOE-UHFFFAOYSA-N
XLogP3.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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ethylbenzene;molybdenum
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sulfanium ethylbenzene
CID 22726309
chloro hypochlorite;ethylbenzene
CID 159036080
ethylbenzene;propane;hydroiodide
CID 142182216
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CID 159408087
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CID 159187560
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CID 163634184

Frequently Asked Questions

What is the IUPAC name of ethane;ethylbenzene;methoxymethane?
The IUPAC name of ethane;ethylbenzene;methoxymethane (CID 91307642) is ethane;ethylbenzene;methoxymethane.
What is the SMILES notation for ethane;ethylbenzene;methoxymethane?
The canonical SMILES for ethane;ethylbenzene;methoxymethane is CC.CCc1ccccc1.COC.COC.
What is the InChIKey of ethane;ethylbenzene;methoxymethane?
The InChIKey is WEMFDNPNLRMVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.2C2H6O.C2H6/c1-2-8-6-4-3-5-7-8;2*1-3-2;1-2/h3-7H,2H2,1H3;2*1-2H3;1-2H3.
What are the key properties of ethane;ethylbenzene;methoxymethane?
ethane;ethylbenzene;methoxymethane has a molecular weight of 228.38 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethylbenzene;methoxymethane is sourced from PubChem (CID 91307642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).