benzene;ethane;methoxymethane

C30H66O2 — CID 159850275

IUPACbenzene;ethane;methoxymethane
SMILESCC.CC.CC.CC.CC.CC.CC.COC.COC.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.2C2H6O.7C2H6/c2*1-2-4-6-5-3-1;2*1-3-2;7*1-2/h2*1-6H;2*1-2H3;7*1-2H3
InChIKeyNPVNGHCZKMMJSZ-UHFFFAOYSA-N
MW458.86 g/mol
LogP11.08
Rot. Bonds

About benzene;ethane;methoxymethane

benzene;ethane;methoxymethane (PubChem CID 159850275) has the molecular formula C30H66O2 and a molecular weight of 458.86 g/mol. Its IUPAC name is benzene;ethane;methoxymethane.

Molecular Properties

Compound Namebenzene;ethane;methoxymethane
PubChem CID159850275
Molecular FormulaC30H66O2
Molecular Weight458.86 g/mol
Exact Mass458.51
IUPAC Namebenzene;ethane;methoxymethane
SMILESCC.CC.CC.CC.CC.CC.CC.COC.COC.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.2C2H6O.7C2H6/c2*1-2-4-6-5-3-1;2*1-3-2;7*1-2/h2*1-6H;2*1-2H3;7*1-2H3
InChIKeyNPVNGHCZKMMJSZ-UHFFFAOYSA-N
XLogP11.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.86
LogP ≤ 511.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzene;ethane;methoxymethane?
The IUPAC name of benzene;ethane;methoxymethane (CID 159850275) is benzene;ethane;methoxymethane.
What is the SMILES notation for benzene;ethane;methoxymethane?
The canonical SMILES for benzene;ethane;methoxymethane is CC.CC.CC.CC.CC.CC.CC.COC.COC.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;ethane;methoxymethane?
The InChIKey is NPVNGHCZKMMJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6.2C2H6O.7C2H6/c2*1-2-4-6-5-3-1;2*1-3-2;7*1-2/h2*1-6H;2*1-2H3;7*1-2H3.
What are the key properties of benzene;ethane;methoxymethane?
benzene;ethane;methoxymethane has a molecular weight of 458.86 g/mol, XLogP of 11.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;methoxymethane is sourced from PubChem (CID 159850275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).