2,2-dimethylpropane

C5H12 — CID 10041

IUPAC2,2-dimethylpropane
SMILESCC(C)(C)C
InChIInChI=1S/C5H12/c1-5(2,3)4/h1-4H3
InChIKeyCRSOQBOWXPBRES-UHFFFAOYSA-N
MW72.15 g/mol
LogP2.05
Rot. Bonds

About 2,2-dimethylpropane

2,2-dimethylpropane (PubChem CID 10041) has the molecular formula C5H12 and a molecular weight of 72.15 g/mol. Its IUPAC name is 2,2-dimethylpropane.

Molecular Properties

Compound Name2,2-dimethylpropane
PubChem CID10041
Molecular FormulaC5H12
Molecular Weight72.15 g/mol
Exact Mass72.09
IUPAC Name2,2-dimethylpropane
SMILESCC(C)(C)C
InChIInChI=1S/C5H12/c1-5(2,3)4/h1-4H3
InChIKeyCRSOQBOWXPBRES-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.15
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane?
The IUPAC name of 2,2-dimethylpropane (CID 10041) is 2,2-dimethylpropane.
What is the SMILES notation for 2,2-dimethylpropane?
The canonical SMILES for 2,2-dimethylpropane is CC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropane?
The InChIKey is CRSOQBOWXPBRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12/c1-5(2,3)4/h1-4H3.
What are the key properties of 2,2-dimethylpropane?
2,2-dimethylpropane has a molecular weight of 72.15 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane is sourced from PubChem (CID 10041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).