3-ethyl-5,6,6-trimethyldecane

C15H32 — CID 123403358

IUPAC3-ethyl-5,6,6-trimethyldecane
SMILESCCCCC(C)(C)C(C)CC(CC)CC
InChIInChI=1S/C15H32/c1-7-10-11-15(5,6)13(4)12-14(8-2)9-3/h13-14H,7-12H2,1-6H3
InChIKeyLKBCSBOJDKTCRC-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.67
Rot. Bonds8

About 3-ethyl-5,6,6-trimethyldecane

3-ethyl-5,6,6-trimethyldecane (PubChem CID 123403358) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 3-ethyl-5,6,6-trimethyldecane.

Molecular Properties

Compound Name3-ethyl-5,6,6-trimethyldecane
PubChem CID123403358
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name3-ethyl-5,6,6-trimethyldecane
SMILESCCCCC(C)(C)C(C)CC(CC)CC
InChIInChI=1S/C15H32/c1-7-10-11-15(5,6)13(4)12-14(8-2)9-3/h13-14H,7-12H2,1-6H3
InChIKeyLKBCSBOJDKTCRC-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

Analyze 3-ethyl-5,6,6-trimethyldecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,5,5-tetramethyloctane
CID 19844451
4,5,5-trimethyldodecane
CID 123360574
1-ethylsulfanyl-4,5,5-trimethylnonane
CID 138600453
(5R)-5,6,6-trimethylnonan-3-amine
CID 88967140
4-butan-2-yl-3-methyl-4-propylnonane
CID 123540962
2,4,4-trimethyloctan-3-ol
CID 57242612
1,1,1-trifluoro-2,3,3-trimethylheptane
CID 126723403
8,10-diethyl-2,4,5,5,6-pentamethyldodecane
CID 91300352
4,4-dimethylhexadecan-3-ol
CID 168719984
ethane;2,3,3-trimethyloctane
CID 142049944
2,3,3-trimethyloctadecane
CID 90966938
6-ethyl-2,3,7,7-tetramethylundecane
CID 123852227

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,6,6-trimethyldecane?
The IUPAC name of 3-ethyl-5,6,6-trimethyldecane (CID 123403358) is 3-ethyl-5,6,6-trimethyldecane.
What is the SMILES notation for 3-ethyl-5,6,6-trimethyldecane?
The canonical SMILES for 3-ethyl-5,6,6-trimethyldecane is CCCCC(C)(C)C(C)CC(CC)CC.
What is the InChIKey of 3-ethyl-5,6,6-trimethyldecane?
The InChIKey is LKBCSBOJDKTCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-7-10-11-15(5,6)13(4)12-14(8-2)9-3/h13-14H,7-12H2,1-6H3.
What are the key properties of 3-ethyl-5,6,6-trimethyldecane?
3-ethyl-5,6,6-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 3-ethyl-5,6,6-trimethyldecane is sourced from PubChem (CID 123403358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).