ethane;methane;pentakis(1,2-xylene)

C54H96 — CID 158909718

IUPACethane;methane;pentakis(1,2-xylene)
SMILESC.C.C.C.CC.CC.CC.CC.CC.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C
InChIInChI=1S/5C8H10.5C2H6.4CH4/c5*1-7-5-3-4-6-8(7)2;5*1-2;;;;/h5*3-6H,1-2H3;5*1-2H3;4*1H4
InChIKeyJGMJUDQAIDOBQZ-UHFFFAOYSA-N
MW745.36 g/mol
LogP19.19
Rot. Bonds

About ethane;methane;pentakis(1,2-xylene)

ethane;methane;pentakis(1,2-xylene) (PubChem CID 158909718) has the molecular formula C54H96 and a molecular weight of 745.36 g/mol. Its IUPAC name is ethane;methane;pentakis(1,2-xylene).

Molecular Properties

Compound Nameethane;methane;pentakis(1,2-xylene)
PubChem CID158909718
Molecular FormulaC54H96
Molecular Weight745.36 g/mol
Exact Mass744.75
IUPAC Nameethane;methane;pentakis(1,2-xylene)
SMILESC.C.C.C.CC.CC.CC.CC.CC.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C
InChIInChI=1S/5C8H10.5C2H6.4CH4/c5*1-7-5-3-4-6-8(7)2;5*1-2;;;;/h5*3-6H,1-2H3;5*1-2H3;4*1H4
InChIKeyJGMJUDQAIDOBQZ-UHFFFAOYSA-N
XLogP19.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.36
LogP ≤ 519.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;pentakis(1,2-xylene)?
The IUPAC name of ethane;methane;pentakis(1,2-xylene) (CID 158909718) is ethane;methane;pentakis(1,2-xylene).
What is the SMILES notation for ethane;methane;pentakis(1,2-xylene)?
The canonical SMILES for ethane;methane;pentakis(1,2-xylene) is C.C.C.C.CC.CC.CC.CC.CC.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C.
What is the InChIKey of ethane;methane;pentakis(1,2-xylene)?
The InChIKey is JGMJUDQAIDOBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/5C8H10.5C2H6.4CH4/c5*1-7-5-3-4-6-8(7)2;5*1-2;;;;/h5*3-6H,1-2H3;5*1-2H3;4*1H4.
What are the key properties of ethane;methane;pentakis(1,2-xylene)?
ethane;methane;pentakis(1,2-xylene) has a molecular weight of 745.36 g/mol, XLogP of 19.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;pentakis(1,2-xylene) is sourced from PubChem (CID 158909718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).