benzene;ethane;methane;propane

C62H140 — CID 164972777

IUPACbenzene;ethane;methane;propane
SMILESC.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/4C6H6.2C3H8.14C2H6.4CH4/c4*1-2-4-6-5-3-1;2*1-3-2;14*1-2;;;;/h4*1-6H;2*3H2,1-2H3;14*1-2H3;4*1H4
InChIKeyDIUDWFVYKGOAKU-UHFFFAOYSA-N
MW885.80 g/mol
LogP26.49
Rot. Bonds

About benzene;ethane;methane;propane

benzene;ethane;methane;propane (PubChem CID 164972777) has the molecular formula C62H140 and a molecular weight of 885.80 g/mol. Its IUPAC name is benzene;ethane;methane;propane.

Molecular Properties

Compound Namebenzene;ethane;methane;propane
PubChem CID164972777
Molecular FormulaC62H140
Molecular Weight885.80 g/mol
Exact Mass885.10
IUPAC Namebenzene;ethane;methane;propane
SMILESC.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/4C6H6.2C3H8.14C2H6.4CH4/c4*1-2-4-6-5-3-1;2*1-3-2;14*1-2;;;;/h4*1-6H;2*3H2,1-2H3;14*1-2H3;4*1H4
InChIKeyDIUDWFVYKGOAKU-UHFFFAOYSA-N
XLogP26.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.80
LogP ≤ 526.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of benzene;ethane;methane;propane?
The IUPAC name of benzene;ethane;methane;propane (CID 164972777) is benzene;ethane;methane;propane.
What is the SMILES notation for benzene;ethane;methane;propane?
The canonical SMILES for benzene;ethane;methane;propane is C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;ethane;methane;propane?
The InChIKey is DIUDWFVYKGOAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H6.2C3H8.14C2H6.4CH4/c4*1-2-4-6-5-3-1;2*1-3-2;14*1-2;;;;/h4*1-6H;2*3H2,1-2H3;14*1-2H3;4*1H4.
What are the key properties of benzene;ethane;methane;propane?
benzene;ethane;methane;propane has a molecular weight of 885.80 g/mol, XLogP of 26.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;methane;propane is sourced from PubChem (CID 164972777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).