benzene;bis(2-methylpropane)

C14H26 — CID 158864478

IUPACbenzene;bis(2-methylpropane)
SMILESCC(C)C.CC(C)C.c1ccccc1
InChIInChI=1S/C6H6.2C4H10/c1-2-4-6-5-3-1;2*1-4(2)3/h1-6H;2*4H,1-3H3
InChIKeyJBBDEFAALZYHGH-UHFFFAOYSA-N
MW194.36 g/mol
LogP5.01
Rot. Bonds

About benzene;bis(2-methylpropane)

benzene;bis(2-methylpropane) (PubChem CID 158864478) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is benzene;bis(2-methylpropane).

Molecular Properties

Compound Namebenzene;bis(2-methylpropane)
PubChem CID158864478
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Namebenzene;bis(2-methylpropane)
SMILESCC(C)C.CC(C)C.c1ccccc1
InChIInChI=1S/C6H6.2C4H10/c1-2-4-6-5-3-1;2*1-4(2)3/h1-6H;2*4H,1-3H3
InChIKeyJBBDEFAALZYHGH-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500194.36
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 159756489
CID 159756489
CID 169430135
CID 169430135
benzene;2,3-dimethylbutane;ethane
CID 159807591
2-methyl(213C)propane
CID 11240418
benzene;methanol;palladium
CID 175018175
ethane;bis(2-methylpropane);bis(pyridine)
CID 161330339
benzene;ethane;bis(2-methylpropane);naphthalene
CID 159562136
cumene;2-methylpropane
CID 90828344
ethane;tetrakis(2-methylpropane)
CID 160890290
argon;2-methylpropane
CID 158681333
chromium;2-methylpropane
CID 160648898
2-methylpropane;tungsten
CID 144526928

Frequently Asked Questions

What is the IUPAC name of benzene;bis(2-methylpropane)?
The IUPAC name of benzene;bis(2-methylpropane) (CID 158864478) is benzene;bis(2-methylpropane).
What is the SMILES notation for benzene;bis(2-methylpropane)?
The canonical SMILES for benzene;bis(2-methylpropane) is CC(C)C.CC(C)C.c1ccccc1.
What is the InChIKey of benzene;bis(2-methylpropane)?
The InChIKey is JBBDEFAALZYHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.2C4H10/c1-2-4-6-5-3-1;2*1-4(2)3/h1-6H;2*4H,1-3H3.
What are the key properties of benzene;bis(2-methylpropane)?
benzene;bis(2-methylpropane) has a molecular weight of 194.36 g/mol, XLogP of 5.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;bis(2-methylpropane) is sourced from PubChem (CID 158864478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).