3-ethyl-3-methyltetradecane

C17H36 — CID 54159558

IUPAC3-ethyl-3-methyltetradecane
SMILESCCCCCCCCCCCC(C)(CC)CC
InChIInChI=1S/C17H36/c1-5-8-9-10-11-12-13-14-15-16-17(4,6-2)7-3/h5-16H2,1-4H3
InChIKeyJFZPTRXNTGMJDK-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.73
Rot. Bonds12

About 3-ethyl-3-methyltetradecane

3-ethyl-3-methyltetradecane (PubChem CID 54159558) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 3-ethyl-3-methyltetradecane.

Molecular Properties

Compound Name3-ethyl-3-methyltetradecane
PubChem CID54159558
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name3-ethyl-3-methyltetradecane
SMILESCCCCCCCCCCCC(C)(CC)CC
InChIInChI=1S/C17H36/c1-5-8-9-10-11-12-13-14-15-16-17(4,6-2)7-3/h5-16H2,1-4H3
InChIKeyJFZPTRXNTGMJDK-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.73
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-methyldecane
CID 545661
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-methyltetradecane?
The IUPAC name of 3-ethyl-3-methyltetradecane (CID 54159558) is 3-ethyl-3-methyltetradecane.
What is the SMILES notation for 3-ethyl-3-methyltetradecane?
The canonical SMILES for 3-ethyl-3-methyltetradecane is CCCCCCCCCCCC(C)(CC)CC.
What is the InChIKey of 3-ethyl-3-methyltetradecane?
The InChIKey is JFZPTRXNTGMJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36/c1-5-8-9-10-11-12-13-14-15-16-17(4,6-2)7-3/h5-16H2,1-4H3.
What are the key properties of 3-ethyl-3-methyltetradecane?
3-ethyl-3-methyltetradecane has a molecular weight of 240.47 g/mol, XLogP of 6.73, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyltetradecane is sourced from PubChem (CID 54159558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).