benzene;ethane

C32H36 — CID 175503526

IUPACbenzene;ethane
SMILESCC.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/5C6H6.C2H6/c5*1-2-4-6-5-3-1;1-2/h5*1-6H;1-2H3
InChIKeyHKNCHDPVELOTQZ-UHFFFAOYSA-N
MW420.64 g/mol
LogP9.46
Rot. Bonds

About benzene;ethane

benzene;ethane (PubChem CID 175503526) has the molecular formula C32H36 and a molecular weight of 420.64 g/mol. Its IUPAC name is benzene;ethane.

Molecular Properties

Compound Namebenzene;ethane
PubChem CID175503526
Molecular FormulaC32H36
Molecular Weight420.64 g/mol
Exact Mass420.28
IUPAC Namebenzene;ethane
SMILESCC.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/5C6H6.C2H6/c5*1-2-4-6-5-3-1;1-2/h5*1-6H;1-2H3
InChIKeyHKNCHDPVELOTQZ-UHFFFAOYSA-N
XLogP9.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.64
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

benzene;ethane
CID 18504552
benzene;ethane;methane
CID 159927536
benzene;ethane;methanol
CID 54085610
benzene;carbanide;ethane;(yttrium)
CID 158722115
benzene;carbanide;ethane;pentakis(yttrium)
CID 158973800
benzene;ethane;molecular fluorine
CID 160701586
benzene;ethane;molecular iodine
CID 157152013
benzene;ethane;propane
CID 91481654
CID 174861989
CID 174861989
benzene;cyclohexane;ethane
CID 158121349
benzene;carbanide;ethane;methane;bis(yttrium)
CID 160954488
benzene;ethane;methoxymethane
CID 159850275

Frequently Asked Questions

What is the IUPAC name of benzene;ethane?
The IUPAC name of benzene;ethane (CID 175503526) is benzene;ethane.
What is the SMILES notation for benzene;ethane?
The canonical SMILES for benzene;ethane is CC.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;ethane?
The InChIKey is HKNCHDPVELOTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/5C6H6.C2H6/c5*1-2-4-6-5-3-1;1-2/h5*1-6H;1-2H3.
What are the key properties of benzene;ethane?
benzene;ethane has a molecular weight of 420.64 g/mol, XLogP of 9.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane is sourced from PubChem (CID 175503526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).