2,2,7,7-tetramethyldecane

C14H30 — CID 57491596

IUPAC2,2,7,7-tetramethyldecane
SMILESCCCC(C)(C)CCCCC(C)(C)C
InChIInChI=1S/C14H30/c1-7-10-14(5,6)12-9-8-11-13(2,3)4/h7-12H2,1-6H3
InChIKeySBFFRZHKBBZEIW-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.42
Rot. Bonds6

About 2,2,7,7-tetramethyldecane

2,2,7,7-tetramethyldecane (PubChem CID 57491596) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 2,2,7,7-tetramethyldecane.

Molecular Properties

Compound Name2,2,7,7-tetramethyldecane
PubChem CID57491596
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name2,2,7,7-tetramethyldecane
SMILESCCCC(C)(C)CCCCC(C)(C)C
InChIInChI=1S/C14H30/c1-7-10-14(5,6)12-9-8-11-13(2,3)4/h7-12H2,1-6H3
InChIKeySBFFRZHKBBZEIW-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 58051418
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2,2-dimethylhexane
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2,2-dimethylundecane;hydrobromide
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azane;2,2-dimethylundecane
CID 172735807
decan-1-ol;8,8-dimethylundecan-1-ol
CID 162145912
N,6,6-trimethylnonan-1-amine
CID 118650446
azane;2,2-dimethylhexane
CID 161105081
8,8-dimethylundec-2-ene
CID 123615624
2,2-dimethylnonane;fluoromethane
CID 158057771
bis(2,2-dimethylpentane);methane
CID 159859974
2,2-dimethylnonadecane;oxosilane
CID 158610214

Frequently Asked Questions

What is the IUPAC name of 2,2,7,7-tetramethyldecane?
The IUPAC name of 2,2,7,7-tetramethyldecane (CID 57491596) is 2,2,7,7-tetramethyldecane.
What is the SMILES notation for 2,2,7,7-tetramethyldecane?
The canonical SMILES for 2,2,7,7-tetramethyldecane is CCCC(C)(C)CCCCC(C)(C)C.
What is the InChIKey of 2,2,7,7-tetramethyldecane?
The InChIKey is SBFFRZHKBBZEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-7-10-14(5,6)12-9-8-11-13(2,3)4/h7-12H2,1-6H3.
What are the key properties of 2,2,7,7-tetramethyldecane?
2,2,7,7-tetramethyldecane has a molecular weight of 198.39 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,7,7-tetramethyldecane is sourced from PubChem (CID 57491596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).