2,3-dimethylbutane;ethane;propane

C17H46 — CID 144519619

IUPAC2,3-dimethylbutane;ethane;propane
SMILESCC.CC.CC.CC.CC(C)C(C)C.CCC
InChIInChI=1S/C6H14.C3H8.4C2H6/c1-5(2)6(3)4;1-3-2;4*1-2/h5-6H,1-4H3;3H2,1-2H3;4*1-2H3
InChIKeyZMXSASOTKKDIMP-UHFFFAOYSA-N
MW250.55 g/mol
LogP7.82
Rot. Bonds1

About 2,3-dimethylbutane;ethane;propane

2,3-dimethylbutane;ethane;propane (PubChem CID 144519619) has the molecular formula C17H46 and a molecular weight of 250.55 g/mol. Its IUPAC name is 2,3-dimethylbutane;ethane;propane.

Molecular Properties

Compound Name2,3-dimethylbutane;ethane;propane
PubChem CID144519619
Molecular FormulaC17H46
Molecular Weight250.55 g/mol
Exact Mass250.36
IUPAC Name2,3-dimethylbutane;ethane;propane
SMILESCC.CC.CC.CC.CC(C)C(C)C.CCC
InChIInChI=1S/C6H14.C3H8.4C2H6/c1-5(2)6(3)4;1-3-2;4*1-2/h5-6H,1-4H3;3H2,1-2H3;4*1-2H3
InChIKeyZMXSASOTKKDIMP-UHFFFAOYSA-N
XLogP7.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.55
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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ethane;methane;propane
CID 159652033
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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane;ethane;propane?
The IUPAC name of 2,3-dimethylbutane;ethane;propane (CID 144519619) is 2,3-dimethylbutane;ethane;propane.
What is the SMILES notation for 2,3-dimethylbutane;ethane;propane?
The canonical SMILES for 2,3-dimethylbutane;ethane;propane is CC.CC.CC.CC.CC(C)C(C)C.CCC.
What is the InChIKey of 2,3-dimethylbutane;ethane;propane?
The InChIKey is ZMXSASOTKKDIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C3H8.4C2H6/c1-5(2)6(3)4;1-3-2;4*1-2/h5-6H,1-4H3;3H2,1-2H3;4*1-2H3.
What are the key properties of 2,3-dimethylbutane;ethane;propane?
2,3-dimethylbutane;ethane;propane has a molecular weight of 250.55 g/mol, XLogP of 7.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane;ethane;propane is sourced from PubChem (CID 144519619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).