benzene;bis(cyclohexane);methane

C25H40 — CID 158427441

IUPACbenzene;bis(cyclohexane);methane
SMILESC.C1CCCCC1.C1CCCCC1.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H12.2C6H6.CH4/c4*1-2-4-6-5-3-1;/h2*1-6H2;2*1-6H;1H4
InChIKeyHBFRTAANCAJKQE-UHFFFAOYSA-N
MW340.60 g/mol
LogP8.69
Rot. Bonds

About benzene;bis(cyclohexane);methane

benzene;bis(cyclohexane);methane (PubChem CID 158427441) has the molecular formula C25H40 and a molecular weight of 340.60 g/mol. Its IUPAC name is benzene;bis(cyclohexane);methane.

Molecular Properties

Compound Namebenzene;bis(cyclohexane);methane
PubChem CID158427441
Molecular FormulaC25H40
Molecular Weight340.60 g/mol
Exact Mass340.31
IUPAC Namebenzene;bis(cyclohexane);methane
SMILESC.C1CCCCC1.C1CCCCC1.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H12.2C6H6.CH4/c4*1-2-4-6-5-3-1;/h2*1-6H2;2*1-6H;1H4
InChIKeyHBFRTAANCAJKQE-UHFFFAOYSA-N
XLogP8.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.60
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of benzene;bis(cyclohexane);methane?
The IUPAC name of benzene;bis(cyclohexane);methane (CID 158427441) is benzene;bis(cyclohexane);methane.
What is the SMILES notation for benzene;bis(cyclohexane);methane?
The canonical SMILES for benzene;bis(cyclohexane);methane is C.C1CCCCC1.C1CCCCC1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;bis(cyclohexane);methane?
The InChIKey is HBFRTAANCAJKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12.2C6H6.CH4/c4*1-2-4-6-5-3-1;/h2*1-6H2;2*1-6H;1H4.
What are the key properties of benzene;bis(cyclohexane);methane?
benzene;bis(cyclohexane);methane has a molecular weight of 340.60 g/mol, XLogP of 8.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;bis(cyclohexane);methane is sourced from PubChem (CID 158427441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).