ethane;2,2,4,4-tetramethylheptane

C13H30 — CID 143291913

IUPACethane;2,2,4,4-tetramethylheptane
SMILESCC.CCCC(C)(C)CC(C)(C)C
InChIInChI=1S/C11H24.C2H6/c1-7-8-11(5,6)9-10(2,3)4;1-2/h7-9H2,1-6H3;1-2H3
InChIKeyJSKQDPDPOUNTLO-UHFFFAOYSA-N
MW186.38 g/mol
LogP5.28
Rot. Bonds3

About ethane;2,2,4,4-tetramethylheptane

ethane;2,2,4,4-tetramethylheptane (PubChem CID 143291913) has the molecular formula C13H30 and a molecular weight of 186.38 g/mol. Its IUPAC name is ethane;2,2,4,4-tetramethylheptane.

Molecular Properties

Compound Nameethane;2,2,4,4-tetramethylheptane
PubChem CID143291913
Molecular FormulaC13H30
Molecular Weight186.38 g/mol
Exact Mass186.23
IUPAC Nameethane;2,2,4,4-tetramethylheptane
SMILESCC.CCCC(C)(C)CC(C)(C)C
InChIInChI=1S/C11H24.C2H6/c1-7-8-11(5,6)9-10(2,3)4;1-2/h7-9H2,1-6H3;1-2H3
InChIKeyJSKQDPDPOUNTLO-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500186.38
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2,4,4,6,6-hexamethylheptane
CID 2795065
2,2-dimethylpentane;ethane;propane
CID 156751345
3,3-dimethylhexane
CID 11233
2,4,4,6,6,8,8,10,10-nonamethyltridecan-2-amine
CID 90836053
3,5,5-trimethyloctan-3-ol
CID 123781250
2,2-dimethylpentane;2,2-dimethylpropane;ethane;methane
CID 162070166
2,2,7,7-tetramethyldecane
CID 57491596
3,3-dimethylhexane-1-thiol;ethane
CID 166459390
ethane;5,5,7,7-tetramethyloctan-2-amine
CID 144514577
bis(2,2-dimethylpentane);methane
CID 159859974
2,2,4,4,6,6-hexamethylheptane;molecular hydrogen
CID 167544338
N,N-diethyl-2,2-dimethylpentan-1-amine
CID 91350925

Frequently Asked Questions

What is the IUPAC name of ethane;2,2,4,4-tetramethylheptane?
The IUPAC name of ethane;2,2,4,4-tetramethylheptane (CID 143291913) is ethane;2,2,4,4-tetramethylheptane.
What is the SMILES notation for ethane;2,2,4,4-tetramethylheptane?
The canonical SMILES for ethane;2,2,4,4-tetramethylheptane is CC.CCCC(C)(C)CC(C)(C)C.
What is the InChIKey of ethane;2,2,4,4-tetramethylheptane?
The InChIKey is JSKQDPDPOUNTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24.C2H6/c1-7-8-11(5,6)9-10(2,3)4;1-2/h7-9H2,1-6H3;1-2H3.
What are the key properties of ethane;2,2,4,4-tetramethylheptane?
ethane;2,2,4,4-tetramethylheptane has a molecular weight of 186.38 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,4,4-tetramethylheptane is sourced from PubChem (CID 143291913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).