benzylbenzene;ethane;methoxymethane

C25H48O2 — CID 159187560

IUPACbenzylbenzene;ethane;methoxymethane
SMILESCC.CC.CC.CC.COC.COC.c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C13H12.2C2H6O.4C2H6/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-3-2;4*1-2/h1-10H,11H2;2*1-2H3;4*1-2H3
InChIKeyKNRJROWEWPULNJ-UHFFFAOYSA-N
MW380.66 g/mol
LogP7.91
Rot. Bonds2

About benzylbenzene;ethane;methoxymethane

benzylbenzene;ethane;methoxymethane (PubChem CID 159187560) has the molecular formula C25H48O2 and a molecular weight of 380.66 g/mol. Its IUPAC name is benzylbenzene;ethane;methoxymethane.

Molecular Properties

Compound Namebenzylbenzene;ethane;methoxymethane
PubChem CID159187560
Molecular FormulaC25H48O2
Molecular Weight380.66 g/mol
Exact Mass380.37
IUPAC Namebenzylbenzene;ethane;methoxymethane
SMILESCC.CC.CC.CC.COC.COC.c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C13H12.2C2H6O.4C2H6/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-3-2;4*1-2/h1-10H,11H2;2*1-2H3;4*1-2H3
InChIKeyKNRJROWEWPULNJ-UHFFFAOYSA-N
XLogP7.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.66
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzylbenzene;methoxymethane
CID 161110966
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CID 91406396
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CID 158067654
benzylbenzene;ethane;methanamine
CID 54117827
phenyl(113C)methylbenzene
CID 11194569
benzylbenzene;ethane;methane;methoxymethane;methyl acetate
CID 158415812
ethane;ethylbenzene;methoxymethane
CID 91307642
benzylbenzene;ethoxyethane
CID 69148831
potassium;benzylbenzene;hydride
CID 173011788
benzene;benzylbenzene;1,1'-biphenyl;ethane;naphthalene
CID 160824127
benzylbenzene;N,N'-dimethylmethanediimine;ethane
CID 91400780
1,5-dibenzyl-2,4-dimethoxybenzene
CID 134865682

Frequently Asked Questions

What is the IUPAC name of benzylbenzene;ethane;methoxymethane?
The IUPAC name of benzylbenzene;ethane;methoxymethane (CID 159187560) is benzylbenzene;ethane;methoxymethane.
What is the SMILES notation for benzylbenzene;ethane;methoxymethane?
The canonical SMILES for benzylbenzene;ethane;methoxymethane is CC.CC.CC.CC.COC.COC.c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of benzylbenzene;ethane;methoxymethane?
The InChIKey is KNRJROWEWPULNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12.2C2H6O.4C2H6/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-3-2;4*1-2/h1-10H,11H2;2*1-2H3;4*1-2H3.
What are the key properties of benzylbenzene;ethane;methoxymethane?
benzylbenzene;ethane;methoxymethane has a molecular weight of 380.66 g/mol, XLogP of 7.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzylbenzene;ethane;methoxymethane is sourced from PubChem (CID 159187560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).