8-ethyl-2,7,8-trimethyldecane

C15H32 — CID 90813779

IUPAC8-ethyl-2,7,8-trimethyldecane
SMILESCCC(C)(CC)C(C)CCCCC(C)C
InChIInChI=1S/C15H32/c1-7-15(6,8-2)14(5)12-10-9-11-13(3)4/h13-14H,7-12H2,1-6H3
InChIKeyMHVKXBNDOFEQJC-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.67
Rot. Bonds8

About 8-ethyl-2,7,8-trimethyldecane

8-ethyl-2,7,8-trimethyldecane (PubChem CID 90813779) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 8-ethyl-2,7,8-trimethyldecane.

Molecular Properties

Compound Name8-ethyl-2,7,8-trimethyldecane
PubChem CID90813779
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name8-ethyl-2,7,8-trimethyldecane
SMILESCCC(C)(CC)C(C)CCCCC(C)C
InChIInChI=1S/C15H32/c1-7-15(6,8-2)14(5)12-10-9-11-13(3)4/h13-14H,7-12H2,1-6H3
InChIKeyMHVKXBNDOFEQJC-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 55.67
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

6-ethyl-2,6,7-trimethyldecane
CID 123269799
2,2-dimethylpropane;ethane;2-methylheptane
CID 143493212
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
3-ethyl-2,3,6-trimethylheptane
CID 53428909
3,3-dimethylpentane;2-methylhexane
CID 158289309
6,10-diethyl-2,6,7,10,12-pentamethylpentadecane
CID 123590734
tris(2,7-dimethyloctane);ethane;methane
CID 159869544
cobalt;2-methylheptane
CID 175521472
bis(2-methylheptane);propane
CID 158714851
2-methyldecane
CID 23415
2-methyltetratriacontane
CID 14275207

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2,7,8-trimethyldecane?
The IUPAC name of 8-ethyl-2,7,8-trimethyldecane (CID 90813779) is 8-ethyl-2,7,8-trimethyldecane.
What is the SMILES notation for 8-ethyl-2,7,8-trimethyldecane?
The canonical SMILES for 8-ethyl-2,7,8-trimethyldecane is CCC(C)(CC)C(C)CCCCC(C)C.
What is the InChIKey of 8-ethyl-2,7,8-trimethyldecane?
The InChIKey is MHVKXBNDOFEQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-7-15(6,8-2)14(5)12-10-9-11-13(3)4/h13-14H,7-12H2,1-6H3.
What are the key properties of 8-ethyl-2,7,8-trimethyldecane?
8-ethyl-2,7,8-trimethyldecane has a molecular weight of 212.42 g/mol, XLogP of 5.67, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2,7,8-trimethyldecane is sourced from PubChem (CID 90813779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).