benzene;cyclohexane;ethane

C28H66 — CID 158121349

IUPACbenzene;cyclohexane;ethane
SMILESC1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.c1ccccc1
InChIInChI=1S/C6H12.C6H6.8C2H6/c2*1-2-4-6-5-3-1;8*1-2/h1-6H2;1-6H;8*1-2H3
InChIKeyFRQHNCSYHWCKLK-UHFFFAOYSA-N
MW402.84 g/mol
LogP12.24
Rot. Bonds

About benzene;cyclohexane;ethane

benzene;cyclohexane;ethane (PubChem CID 158121349) has the molecular formula C28H66 and a molecular weight of 402.84 g/mol. Its IUPAC name is benzene;cyclohexane;ethane.

Molecular Properties

Compound Namebenzene;cyclohexane;ethane
PubChem CID158121349
Molecular FormulaC28H66
Molecular Weight402.84 g/mol
Exact Mass402.52
IUPAC Namebenzene;cyclohexane;ethane
SMILESC1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.c1ccccc1
InChIInChI=1S/C6H12.C6H6.8C2H6/c2*1-2-4-6-5-3-1;8*1-2/h1-6H2;1-6H;8*1-2H3
InChIKeyFRQHNCSYHWCKLK-UHFFFAOYSA-N
XLogP12.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.84
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of benzene;cyclohexane;ethane?
The IUPAC name of benzene;cyclohexane;ethane (CID 158121349) is benzene;cyclohexane;ethane.
What is the SMILES notation for benzene;cyclohexane;ethane?
The canonical SMILES for benzene;cyclohexane;ethane is C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.c1ccccc1.
What is the InChIKey of benzene;cyclohexane;ethane?
The InChIKey is FRQHNCSYHWCKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C6H6.8C2H6/c2*1-2-4-6-5-3-1;8*1-2/h1-6H2;1-6H;8*1-2H3.
What are the key properties of benzene;cyclohexane;ethane?
benzene;cyclohexane;ethane has a molecular weight of 402.84 g/mol, XLogP of 12.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;cyclohexane;ethane is sourced from PubChem (CID 158121349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).