3,3-dimethylpentane;2,2-dimethylpropane

C12H28 — CID 173299738

IUPAC3,3-dimethylpentane;2,2-dimethylpropane
SMILESCC(C)(C)C.CCC(C)(C)CC
InChIInChI=1S/C7H16.C5H12/c1-5-7(3,4)6-2;1-5(2,3)4/h5-6H2,1-4H3;1-4H3
InChIKeyWCPGIQJBDUSNST-UHFFFAOYSA-N
MW172.36 g/mol
LogP4.89
Rot. Bonds2

About 3,3-dimethylpentane;2,2-dimethylpropane

3,3-dimethylpentane;2,2-dimethylpropane (PubChem CID 173299738) has the molecular formula C12H28 and a molecular weight of 172.36 g/mol. Its IUPAC name is 3,3-dimethylpentane;2,2-dimethylpropane.

Molecular Properties

Compound Name3,3-dimethylpentane;2,2-dimethylpropane
PubChem CID173299738
Molecular FormulaC12H28
Molecular Weight172.36 g/mol
Exact Mass172.22
IUPAC Name3,3-dimethylpentane;2,2-dimethylpropane
SMILESCC(C)(C)C.CCC(C)(C)CC
InChIInChI=1S/C7H16.C5H12/c1-5-7(3,4)6-2;1-5(2,3)4/h5-6H2,1-4H3;1-4H3
InChIKeyWCPGIQJBDUSNST-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.36
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,3-dimethylpentane;2,2-dimethylpropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tetrakis(3,3-dimethylpentane);methane
CID 159658641
3,3-dimethylpentane;methane
CID 158185076
3,3-dimethylpentane;propane
CID 90942978
2,2-dimethylbutane;3,3-dimethylpentane
CID 160500141
3,3-dimethylpentane;ethane;methanol
CID 144527462
ethane;2,4,4-trimethylhexan-2-amine
CID 143206912
3,3-dimethylhexane
CID 11233
ethane;2,2,4,4-tetramethylhexan-1-amine
CID 144955387
3,3-dimethylpentane;ethane;1,4-xylene
CID 142196202
3,3-dimethylpentane;tris(nitric acid)
CID 173399914
potassium 2,2-dimethylbutan-1-olate
CID 87821527
3,3,19,19-tetramethylhenicosane
CID 123780647

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylpentane;2,2-dimethylpropane?
The IUPAC name of 3,3-dimethylpentane;2,2-dimethylpropane (CID 173299738) is 3,3-dimethylpentane;2,2-dimethylpropane.
What is the SMILES notation for 3,3-dimethylpentane;2,2-dimethylpropane?
The canonical SMILES for 3,3-dimethylpentane;2,2-dimethylpropane is CC(C)(C)C.CCC(C)(C)CC.
What is the InChIKey of 3,3-dimethylpentane;2,2-dimethylpropane?
The InChIKey is WCPGIQJBDUSNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C5H12/c1-5-7(3,4)6-2;1-5(2,3)4/h5-6H2,1-4H3;1-4H3.
What are the key properties of 3,3-dimethylpentane;2,2-dimethylpropane?
3,3-dimethylpentane;2,2-dimethylpropane has a molecular weight of 172.36 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylpentane;2,2-dimethylpropane is sourced from PubChem (CID 173299738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).