3-ethyl-6-methyldecane

C13H28 — CID 57490928

IUPAC3-ethyl-6-methyldecane
SMILESCCCCC(C)CCC(CC)CC
InChIInChI=1S/C13H28/c1-5-8-9-12(4)10-11-13(6-2)7-3/h12-13H,5-11H2,1-4H3
InChIKeyWSJHCFOTEYUHSW-UHFFFAOYSA-N
MW184.37 g/mol
LogP5.03
Rot. Bonds8

About 3-ethyl-6-methyldecane

3-ethyl-6-methyldecane (PubChem CID 57490928) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 3-ethyl-6-methyldecane.

Molecular Properties

Compound Name3-ethyl-6-methyldecane
PubChem CID57490928
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name3-ethyl-6-methyldecane
SMILESCCCCC(C)CCC(CC)CC
InChIInChI=1S/C13H28/c1-5-8-9-12(4)10-11-13(6-2)7-3/h12-13H,5-11H2,1-4H3
InChIKeyWSJHCFOTEYUHSW-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500184.37
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-ethyl-8-methyltetradecane
CID 158454229
3-ethyl-6,11-dimethyltridecane
CID 123237146
(3R,6S)-3,6-dimethyldecane
CID 170848353
13-ethyl-16-methyltriacontane
CID 123421227
18-ethyl-15-methyltetratriacontane
CID 123619510
7-butyl-4-methylundecane
CID 59977721
5,8,18,24-tetramethylhentriacontane
CID 6430103
5,7,10-trimethyltetradecane
CID 91033593
7-ethyl-3-methylundecane
CID 57085432
4-ethylheptane;3-methylheptane
CID 143099611
24-docosyl-21-methylheptatetracontane
CID 173071241
15-butyl-3,6-dimethylhexacosane
CID 153276660

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyldecane?
The IUPAC name of 3-ethyl-6-methyldecane (CID 57490928) is 3-ethyl-6-methyldecane.
What is the SMILES notation for 3-ethyl-6-methyldecane?
The canonical SMILES for 3-ethyl-6-methyldecane is CCCCC(C)CCC(CC)CC.
What is the InChIKey of 3-ethyl-6-methyldecane?
The InChIKey is WSJHCFOTEYUHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-5-8-9-12(4)10-11-13(6-2)7-3/h12-13H,5-11H2,1-4H3.
What are the key properties of 3-ethyl-6-methyldecane?
3-ethyl-6-methyldecane has a molecular weight of 184.37 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyldecane is sourced from PubChem (CID 57490928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).