2,3-dimethylbutane;methane

C7H18 — CID 19042562

IUPAC2,3-dimethylbutane;methane
SMILESC.CC(C)C(C)C
InChIInChI=1S/C6H14.CH4/c1-5(2)6(3)4;/h5-6H,1-4H3;1H4
InChIKeyUUECQMBOJZEVAA-UHFFFAOYSA-N
MW102.22 g/mol
LogP2.93
Rot. Bonds1

About 2,3-dimethylbutane;methane

2,3-dimethylbutane;methane (PubChem CID 19042562) has the molecular formula C7H18 and a molecular weight of 102.22 g/mol. Its IUPAC name is 2,3-dimethylbutane;methane.

Molecular Properties

Compound Name2,3-dimethylbutane;methane
PubChem CID19042562
Molecular FormulaC7H18
Molecular Weight102.22 g/mol
Exact Mass102.14
IUPAC Name2,3-dimethylbutane;methane
SMILESC.CC(C)C(C)C
InChIInChI=1S/C6H14.CH4/c1-5(2)6(3)4;/h5-6H,1-4H3;1H4
InChIKeyUUECQMBOJZEVAA-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.22
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane;methane?
The IUPAC name of 2,3-dimethylbutane;methane (CID 19042562) is 2,3-dimethylbutane;methane.
What is the SMILES notation for 2,3-dimethylbutane;methane?
The canonical SMILES for 2,3-dimethylbutane;methane is C.CC(C)C(C)C.
What is the InChIKey of 2,3-dimethylbutane;methane?
The InChIKey is UUECQMBOJZEVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.CH4/c1-5(2)6(3)4;/h5-6H,1-4H3;1H4.
What are the key properties of 2,3-dimethylbutane;methane?
2,3-dimethylbutane;methane has a molecular weight of 102.22 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane;methane is sourced from PubChem (CID 19042562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).