3-ethyl-2,6,9-trimethyldecane

C15H32 — CID 91256736

IUPAC3-ethyl-2,6,9-trimethyldecane
SMILESCCC(CCC(C)CCC(C)C)C(C)C
InChIInChI=1S/C15H32/c1-7-15(13(4)5)11-10-14(6)9-8-12(2)3/h12-15H,7-11H2,1-6H3
InChIKeyJRFZIWFNCCIZCK-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.52
Rot. Bonds8

About 3-ethyl-2,6,9-trimethyldecane

3-ethyl-2,6,9-trimethyldecane (PubChem CID 91256736) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 3-ethyl-2,6,9-trimethyldecane.

Molecular Properties

Compound Name3-ethyl-2,6,9-trimethyldecane
PubChem CID91256736
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name3-ethyl-2,6,9-trimethyldecane
SMILESCCC(CCC(C)CCC(C)C)C(C)C
InChIInChI=1S/C15H32/c1-7-15(13(4)5)11-10-14(6)9-8-12(2)3/h12-15H,7-11H2,1-6H3
InChIKeyJRFZIWFNCCIZCK-UHFFFAOYSA-N
XLogP5.52
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 ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

8-ethyl-2,3,5,9-tetramethyldecane
CID 123544515
6-ethyl-N,3,7-trimethyl-N-propan-2-yloctan-1-amine
CID 174299611
2,5-dimethylheptane;propane
CID 145235091
(3R)-3-ethyl-2-methylhexane
CID 59954424
2,9-dimethyl-5,6-bis(3-methylbutyl)decane
CID 139994880
7-ethyl-2,3,4,8-tetramethylnonane
CID 123811114
5-ethyl-2,8-dimethyl-15-propan-2-yloctadecane
CID 139911730
2,5,9,13-tetramethyltetradecane
CID 58292409
5-ethyl-2,6,7-trimethyldecane
CID 123648141
4-ethyl-2,8-dimethyl-5-propylnonane
CID 143343075
ethane;(3R)-3-ethyl-2-methylheptane
CID 166461427
4-ethyl-1-iodo-5-methylhexane
CID 118326959

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,6,9-trimethyldecane?
The IUPAC name of 3-ethyl-2,6,9-trimethyldecane (CID 91256736) is 3-ethyl-2,6,9-trimethyldecane.
What is the SMILES notation for 3-ethyl-2,6,9-trimethyldecane?
The canonical SMILES for 3-ethyl-2,6,9-trimethyldecane is CCC(CCC(C)CCC(C)C)C(C)C.
What is the InChIKey of 3-ethyl-2,6,9-trimethyldecane?
The InChIKey is JRFZIWFNCCIZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-7-15(13(4)5)11-10-14(6)9-8-12(2)3/h12-15H,7-11H2,1-6H3.
What are the key properties of 3-ethyl-2,6,9-trimethyldecane?
3-ethyl-2,6,9-trimethyldecane has a molecular weight of 212.42 g/mol, XLogP of 5.52, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,6,9-trimethyldecane is sourced from PubChem (CID 91256736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).