3-ethyl-3-methyldodecane

C15H32 — CID 56619966

IUPAC3-ethyl-3-methyldodecane
SMILESCCCCCCCCCC(C)(CC)CC
InChIInChI=1S/C15H32/c1-5-8-9-10-11-12-13-14-15(4,6-2)7-3/h5-14H2,1-4H3
InChIKeyBJXSTHWLDODKLM-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.95
Rot. Bonds10

About 3-ethyl-3-methyldodecane

3-ethyl-3-methyldodecane (PubChem CID 56619966) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 3-ethyl-3-methyldodecane.

Molecular Properties

Compound Name3-ethyl-3-methyldodecane
PubChem CID56619966
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name3-ethyl-3-methyldodecane
SMILESCCCCCCCCCC(C)(CC)CC
InChIInChI=1S/C15H32/c1-5-8-9-10-11-12-13-14-15(4,6-2)7-3/h5-14H2,1-4H3
InChIKeyBJXSTHWLDODKLM-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 55.95
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-methyldecane
CID 545661
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-methyldodecane?
The IUPAC name of 3-ethyl-3-methyldodecane (CID 56619966) is 3-ethyl-3-methyldodecane.
What is the SMILES notation for 3-ethyl-3-methyldodecane?
The canonical SMILES for 3-ethyl-3-methyldodecane is CCCCCCCCCC(C)(CC)CC.
What is the InChIKey of 3-ethyl-3-methyldodecane?
The InChIKey is BJXSTHWLDODKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-5-8-9-10-11-12-13-14-15(4,6-2)7-3/h5-14H2,1-4H3.
What are the key properties of 3-ethyl-3-methyldodecane?
3-ethyl-3-methyldodecane has a molecular weight of 212.42 g/mol, XLogP of 5.95, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyldodecane is sourced from PubChem (CID 56619966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).