4-ethyl-2,2,9,9-tetramethyldecane

C16H34 — CID 157105314

IUPAC4-ethyl-2,2,9,9-tetramethyldecane
SMILESCCC(CCCCC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C16H34/c1-8-14(13-16(5,6)7)11-9-10-12-15(2,3)4/h14H,8-13H2,1-7H3
InChIKeyAGFNYMVTBBKWDH-UHFFFAOYSA-N
MW226.45 g/mol
LogP6.06
Rot. Bonds6

About 4-ethyl-2,2,9,9-tetramethyldecane

4-ethyl-2,2,9,9-tetramethyldecane (PubChem CID 157105314) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 4-ethyl-2,2,9,9-tetramethyldecane.

Molecular Properties

Compound Name4-ethyl-2,2,9,9-tetramethyldecane
PubChem CID157105314
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name4-ethyl-2,2,9,9-tetramethyldecane
SMILESCCC(CCCCC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C16H34/c1-8-14(13-16(5,6)7)11-9-10-12-15(2,3)4/h14H,8-13H2,1-7H3
InChIKeyAGFNYMVTBBKWDH-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 56.06
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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3-ethyl-5,5-dimethylhexan-1-amine
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5-ethyl-2,2-dimethyltetradecane
CID 162426700
1,1-difluoro-6,6-dimethylheptane
CID 162546967
2-(6,6-dimethylheptyl)-8,8-dimethylnonan-1-ol
CID 129034366
2,2,13-trimethylpentadecane
CID 150334228
6-ethyl-9,9-dimethyldecan-1-ol
CID 176971443
9,9-dimethyldecan-3-ol
CID 156689502
5-(2,2-dimethylpropyl)-2,2,8,8-tetramethylnonane;methane
CID 160846124
(3R)-3-(2,2-dimethylpropyl)octan-1-ol
CID 118887517

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2,9,9-tetramethyldecane?
The IUPAC name of 4-ethyl-2,2,9,9-tetramethyldecane (CID 157105314) is 4-ethyl-2,2,9,9-tetramethyldecane.
What is the SMILES notation for 4-ethyl-2,2,9,9-tetramethyldecane?
The canonical SMILES for 4-ethyl-2,2,9,9-tetramethyldecane is CCC(CCCCC(C)(C)C)CC(C)(C)C.
What is the InChIKey of 4-ethyl-2,2,9,9-tetramethyldecane?
The InChIKey is AGFNYMVTBBKWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-8-14(13-16(5,6)7)11-9-10-12-15(2,3)4/h14H,8-13H2,1-7H3.
What are the key properties of 4-ethyl-2,2,9,9-tetramethyldecane?
4-ethyl-2,2,9,9-tetramethyldecane has a molecular weight of 226.45 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,2,9,9-tetramethyldecane is sourced from PubChem (CID 157105314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).