4-ethyl-2-methyldecane

C13H28 — CID 19893744

IUPAC4-ethyl-2-methyldecane
SMILESCCCCCCC(CC)CC(C)C
InChIInChI=1S/C13H28/c1-5-7-8-9-10-13(6-2)11-12(3)4/h12-13H,5-11H2,1-4H3
InChIKeyXZSIOZYNNSOTEP-UHFFFAOYSA-N
MW184.37 g/mol
LogP5.03
Rot. Bonds8

About 4-ethyl-2-methyldecane

4-ethyl-2-methyldecane (PubChem CID 19893744) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 4-ethyl-2-methyldecane.

Molecular Properties

Compound Name4-ethyl-2-methyldecane
PubChem CID19893744
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name4-ethyl-2-methyldecane
SMILESCCCCCCC(CC)CC(C)C
InChIInChI=1S/C13H28/c1-5-7-8-9-10-13(6-2)11-12(3)4/h12-13H,5-11H2,1-4H3
InChIKeyXZSIOZYNNSOTEP-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

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11-ethyl-9-methylhenicosane
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4-(bromomethyl)-2-methylundecane
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4-(chloromethyl)-2-methyltridecane
CID 66035866
2-(2-methylpropyl)undecan-1-ol
CID 66059386
5-ethyl-7-methylhexadecane
CID 173452938
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CID 63498111
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
3-ethylicosane
CID 528487

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyldecane?
The IUPAC name of 4-ethyl-2-methyldecane (CID 19893744) is 4-ethyl-2-methyldecane.
What is the SMILES notation for 4-ethyl-2-methyldecane?
The canonical SMILES for 4-ethyl-2-methyldecane is CCCCCCC(CC)CC(C)C.
What is the InChIKey of 4-ethyl-2-methyldecane?
The InChIKey is XZSIOZYNNSOTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-5-7-8-9-10-13(6-2)11-12(3)4/h12-13H,5-11H2,1-4H3.
What are the key properties of 4-ethyl-2-methyldecane?
4-ethyl-2-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 4-ethyl-2-methyldecane is sourced from PubChem (CID 19893744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).