3-ethyl-3-methyldecane

C13H28 — CID 545661

IUPAC3-ethyl-3-methyldecane
SMILESCCCCCCCC(C)(CC)CC
InChIInChI=1S/C13H28/c1-5-8-9-10-11-12-13(4,6-2)7-3/h5-12H2,1-4H3
InChIKeyXIVQUUGRQDHITC-UHFFFAOYSA-N
MW184.37 g/mol
LogP5.17
Rot. Bonds8

About 3-ethyl-3-methyldecane

3-ethyl-3-methyldecane (PubChem CID 545661) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 3-ethyl-3-methyldecane.

Molecular Properties

Compound Name3-ethyl-3-methyldecane
PubChem CID545661
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name3-ethyl-3-methyldecane
SMILESCCCCCCCC(C)(CC)CC
InChIInChI=1S/C13H28/c1-5-8-9-10-11-12-13(4,6-2)7-3/h5-12H2,1-4H3
InChIKeyXIVQUUGRQDHITC-UHFFFAOYSA-N
XLogP5.17
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 ≤ 55.17
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-3-methyltetradecane
CID 54159558
3-ethyl-3-methyldodecane
CID 56619966
5-ethyl-5-methylundecane
CID 57491570
5-ethyl-5-methylhenicosane
CID 86034991
5-ethyl-5-methylhentetracontane
CID 123896152
11-methyl-11-nonylhenicosane
CID 19690388
13-methyl-13-octylhentriacontane
CID 173152457
5-butyl-5-methylpentadecane
CID 174700907
ethane;4-ethyl-4-methylnonane
CID 164538733
2-ethyl-N,2-dimethylundecan-1-amine
CID 63508847
4-ethyl-2,4-dimethylundecane
CID 22481197
3,5-diethyl-5-methylundecane
CID 123513202

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyldecane?
The IUPAC name of 3-ethyl-3-methyldecane (CID 545661) is 3-ethyl-3-methyldecane.
What is the SMILES notation for 3-ethyl-3-methyldecane?
The canonical SMILES for 3-ethyl-3-methyldecane is CCCCCCCC(C)(CC)CC.
What is the InChIKey of 3-ethyl-3-methyldecane?
The InChIKey is XIVQUUGRQDHITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-5-8-9-10-11-12-13(4,6-2)7-3/h5-12H2,1-4H3.
What are the key properties of 3-ethyl-3-methyldecane?
3-ethyl-3-methyldecane has a molecular weight of 184.37 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyldecane is sourced from PubChem (CID 545661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).