benzene;ethane;methane

C35H58 — CID 159927536

IUPACbenzene;ethane;methane
SMILESC.CC.CC.CC.CC.CC.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/4C6H6.5C2H6.CH4/c4*1-2-4-6-5-3-1;5*1-2;/h4*1-6H;5*1-2H3;1H4
InChIKeyNZFFXWNTXCXCIT-UHFFFAOYSA-N
MW478.85 g/mol
LogP12.51
Rot. Bonds

About benzene;ethane;methane

benzene;ethane;methane (PubChem CID 159927536) has the molecular formula C35H58 and a molecular weight of 478.85 g/mol. Its IUPAC name is benzene;ethane;methane.

Molecular Properties

Compound Namebenzene;ethane;methane
PubChem CID159927536
Molecular FormulaC35H58
Molecular Weight478.85 g/mol
Exact Mass478.45
IUPAC Namebenzene;ethane;methane
SMILESC.CC.CC.CC.CC.CC.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/4C6H6.5C2H6.CH4/c4*1-2-4-6-5-3-1;5*1-2;/h4*1-6H;5*1-2H3;1H4
InChIKeyNZFFXWNTXCXCIT-UHFFFAOYSA-N
XLogP12.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.85
LogP ≤ 512.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of benzene;ethane;methane?
The IUPAC name of benzene;ethane;methane (CID 159927536) is benzene;ethane;methane.
What is the SMILES notation for benzene;ethane;methane?
The canonical SMILES for benzene;ethane;methane is C.CC.CC.CC.CC.CC.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;ethane;methane?
The InChIKey is NZFFXWNTXCXCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H6.5C2H6.CH4/c4*1-2-4-6-5-3-1;5*1-2;/h4*1-6H;5*1-2H3;1H4.
What are the key properties of benzene;ethane;methane?
benzene;ethane;methane has a molecular weight of 478.85 g/mol, XLogP of 12.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;methane is sourced from PubChem (CID 159927536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).