cumene;ethane;bis(2-methylpropane)

C19H38 — CID 161044029

IUPACcumene;ethane;bis(2-methylpropane)
SMILESCC.CC(C)C.CC(C)C.CC(C)c1ccccc1
InChIInChI=1S/C9H12.2C4H10.C2H6/c1-8(2)9-6-4-3-5-7-9;2*1-4(2)3;1-2/h3-8H,1-2H3;2*4H,1-3H3;1-2H3
InChIKeyUBGJPIHBDGJZFA-UHFFFAOYSA-N
MW266.51 g/mol
LogP7.16
Rot. Bonds1

About cumene;ethane;bis(2-methylpropane)

cumene;ethane;bis(2-methylpropane) (PubChem CID 161044029) has the molecular formula C19H38 and a molecular weight of 266.51 g/mol. Its IUPAC name is cumene;ethane;bis(2-methylpropane).

Molecular Properties

Compound Namecumene;ethane;bis(2-methylpropane)
PubChem CID161044029
Molecular FormulaC19H38
Molecular Weight266.51 g/mol
Exact Mass266.30
IUPAC Namecumene;ethane;bis(2-methylpropane)
SMILESCC.CC(C)C.CC(C)C.CC(C)c1ccccc1
InChIInChI=1S/C9H12.2C4H10.C2H6/c1-8(2)9-6-4-3-5-7-9;2*1-4(2)3;1-2/h3-8H,1-2H3;2*4H,1-3H3;1-2H3
InChIKeyUBGJPIHBDGJZFA-UHFFFAOYSA-N
XLogP7.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.51
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cumene;2-methylpropane
CID 90828344
cumene;ethane
CID 54306132
CID 159310434
CID 159310434
CID 160506105
CID 160506105
cumene
CID 161227923
benzene;cumene
CID 157215889
propan-2-ylcyclodecapentaene
CID 123508933
chloromethane;cumene;ethane
CID 160847695
cumene;zinc
CID 159490121
cumene;hydrogen peroxide
CID 21225480
cumene;2-methylpropane;propane
CID 158125037
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CID 158118082

Frequently Asked Questions

What is the IUPAC name of cumene;ethane;bis(2-methylpropane)?
The IUPAC name of cumene;ethane;bis(2-methylpropane) (CID 161044029) is cumene;ethane;bis(2-methylpropane).
What is the SMILES notation for cumene;ethane;bis(2-methylpropane)?
The canonical SMILES for cumene;ethane;bis(2-methylpropane) is CC.CC(C)C.CC(C)C.CC(C)c1ccccc1.
What is the InChIKey of cumene;ethane;bis(2-methylpropane)?
The InChIKey is UBGJPIHBDGJZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.2C4H10.C2H6/c1-8(2)9-6-4-3-5-7-9;2*1-4(2)3;1-2/h3-8H,1-2H3;2*4H,1-3H3;1-2H3.
What are the key properties of cumene;ethane;bis(2-methylpropane)?
cumene;ethane;bis(2-methylpropane) has a molecular weight of 266.51 g/mol, XLogP of 7.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;ethane;bis(2-methylpropane) is sourced from PubChem (CID 161044029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).