2,3-dimethylbutane

C6H14 — CID 6589

IUPAC2,3-dimethylbutane
SMILESCC(C)C(C)C
InChIInChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3
InChIKeyZFFMLCVRJBZUDZ-UHFFFAOYSA-N
MW86.18 g/mol
LogP2.30
Rot. Bonds1

About 2,3-dimethylbutane

2,3-dimethylbutane (PubChem CID 6589) has the molecular formula C6H14 and a molecular weight of 86.18 g/mol. Its IUPAC name is 2,3-dimethylbutane.

Molecular Properties

Compound Name2,3-dimethylbutane
PubChem CID6589
Molecular FormulaC6H14
Molecular Weight86.18 g/mol
Exact Mass86.11
IUPAC Name2,3-dimethylbutane
SMILESCC(C)C(C)C
InChIInChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3
InChIKeyZFFMLCVRJBZUDZ-UHFFFAOYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.18
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane?
The IUPAC name of 2,3-dimethylbutane (CID 6589) is 2,3-dimethylbutane.
What is the SMILES notation for 2,3-dimethylbutane?
The canonical SMILES for 2,3-dimethylbutane is CC(C)C(C)C.
What is the InChIKey of 2,3-dimethylbutane?
The InChIKey is ZFFMLCVRJBZUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3.
What are the key properties of 2,3-dimethylbutane?
2,3-dimethylbutane has a molecular weight of 86.18 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane is sourced from PubChem (CID 6589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).