3-ethyl-8-methyldecane

C13H28 — CID 57490930

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

About 3-ethyl-8-methyldecane

3-ethyl-8-methyldecane (PubChem CID 57490930) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 3-ethyl-8-methyldecane.

Molecular Properties

Compound Name3-ethyl-8-methyldecane
PubChem CID57490930
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name3-ethyl-8-methyldecane
SMILESCCC(C)CCCCC(CC)CC
InChIInChI=1S/C13H28/c1-5-12(4)10-8-9-11-13(6-2)7-3/h12-13H,5-11H2,1-4H3
InChIKeyNIDYZRUOEVZLER-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-10-methyldodecane
CID 54169175
3-ethyl-7-methylnonane
CID 526426
(7R,11R,15R,19R,23R,27S)-3-ethyl-7,11,15,19,23,27-hexamethylnonacosane
CID 90874427
3-ethyl-6,11-dimethyltridecane
CID 123237146
9-ethyl-3-methyltridecane
CID 54105230
13-ethyl-3,8-dimethyloctadecane
CID 123214629
11-ethyl-3-methyltetradecane
CID 123200411
7-ethylpentadecane;5-ethylundecane;3-methylundecane;nonane;tridecane;undecane
CID 161368370
7-ethyl-3-methylundecane
CID 57085432
(3R,7R)-3,7-dimethylnonane
CID 42626759
3,7-diethylnonane
CID 22089120
(3R)-3-methylhexacosane
CID 134824557

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-methyldecane?
The IUPAC name of 3-ethyl-8-methyldecane (CID 57490930) is 3-ethyl-8-methyldecane.
What is the SMILES notation for 3-ethyl-8-methyldecane?
The canonical SMILES for 3-ethyl-8-methyldecane is CCC(C)CCCCC(CC)CC.
What is the InChIKey of 3-ethyl-8-methyldecane?
The InChIKey is NIDYZRUOEVZLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-5-12(4)10-8-9-11-13(6-2)7-3/h12-13H,5-11H2,1-4H3.
What are the key properties of 3-ethyl-8-methyldecane?
3-ethyl-8-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-8-methyldecane is sourced from PubChem (CID 57490930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).