2,2-dimethylpentane;ethane;propane

C12H30 — CID 156751345

IUPAC2,2-dimethylpentane;ethane;propane
SMILESCC.CCC.CCCC(C)(C)C
InChIInChI=1S/C7H16.C3H8.C2H6/c1-5-6-7(2,3)4;1-3-2;1-2/h5-6H2,1-4H3;3H2,1-2H3;1-2H3
InChIKeyMDDCWDTZPVSRDF-UHFFFAOYSA-N
MW174.37 g/mol
LogP5.28
Rot. Bonds1

About 2,2-dimethylpentane;ethane;propane

2,2-dimethylpentane;ethane;propane (PubChem CID 156751345) has the molecular formula C12H30 and a molecular weight of 174.37 g/mol. Its IUPAC name is 2,2-dimethylpentane;ethane;propane.

Molecular Properties

Compound Name2,2-dimethylpentane;ethane;propane
PubChem CID156751345
Molecular FormulaC12H30
Molecular Weight174.37 g/mol
Exact Mass174.23
IUPAC Name2,2-dimethylpentane;ethane;propane
SMILESCC.CCC.CCCC(C)(C)C
InChIInChI=1S/C7H16.C3H8.C2H6/c1-5-6-7(2,3)4;1-3-2;1-2/h5-6H2,1-4H3;3H2,1-2H3;1-2H3
InChIKeyMDDCWDTZPVSRDF-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500174.37
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2-dimethylpentane;2,2-dimethylpropane;ethane;methane
CID 162070166
bis(2,2-dimethylpentane);methane
CID 159859974
cyclohexane;2,2-dimethylpentane;ethane
CID 162252162
butane;2,2-dimethylpropane;ethane;propane
CID 142459037
ethane;2,2,4,4-tetramethylheptane
CID 143291913
2,2-dimethylhexane
CID 169424592
2,2-dimethylpentane;3,3-dimethyl-1-propoxybutane;3,3-dimethyl-1-(2-propoxyethoxy)butane
CID 161233705
2,2,7,7-tetramethyldecane
CID 57491596
azane;2,2-dimethylhexane
CID 161105081
4-ethyl-7,7-dimethyloctan-4-ol
CID 59856312
dichlorozirconium;3,3-dimethylbutan-1-ol;2,2-dimethylpentane;bis(2,2-dimethylpropane);ethanol
CID 160757315
(2S)-2-aminopropanamide;2,2-dimethylpentane
CID 175210028

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpentane;ethane;propane?
The IUPAC name of 2,2-dimethylpentane;ethane;propane (CID 156751345) is 2,2-dimethylpentane;ethane;propane.
What is the SMILES notation for 2,2-dimethylpentane;ethane;propane?
The canonical SMILES for 2,2-dimethylpentane;ethane;propane is CC.CCC.CCCC(C)(C)C.
What is the InChIKey of 2,2-dimethylpentane;ethane;propane?
The InChIKey is MDDCWDTZPVSRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C3H8.C2H6/c1-5-6-7(2,3)4;1-3-2;1-2/h5-6H2,1-4H3;3H2,1-2H3;1-2H3.
What are the key properties of 2,2-dimethylpentane;ethane;propane?
2,2-dimethylpentane;ethane;propane has a molecular weight of 174.37 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpentane;ethane;propane is sourced from PubChem (CID 156751345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).