7-ethyltetradecane

C16H34 — CID 529902

IUPAC7-ethyltetradecane
SMILESCCCCCCCC(CC)CCCCCC
InChIInChI=1S/C16H34/c1-4-7-9-11-13-15-16(6-3)14-12-10-8-5-2/h16H,4-15H2,1-3H3
InChIKeyBLMUTSBGJBEFFR-UHFFFAOYSA-N
MW226.45 g/mol
LogP6.34
Rot. Bonds12

About 7-ethyltetradecane

7-ethyltetradecane (PubChem CID 529902) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 7-ethyltetradecane.

Molecular Properties

Compound Name7-ethyltetradecane
PubChem CID529902
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name7-ethyltetradecane
SMILESCCCCCCCC(CC)CCCCCC
InChIInChI=1S/C16H34/c1-4-7-9-11-13-15-16(6-3)14-12-10-8-5-2/h16H,4-15H2,1-3H3
InChIKeyBLMUTSBGJBEFFR-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 56.34
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

12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltridecane;methane
CID 158982306
4-ethylhexadecane
CID 528433
4-ethylnonadecane
CID 22223766
3-ethylpentacosane
CID 22224239
3-ethylicosane
CID 528487
ethane;3-ethylundecane
CID 144815521
3,6-diethylundecane
CID 22051817
8-(3-ethylhexyl)hexadecane
CID 123944120
3-ethyloctane;propane
CID 143682929

Frequently Asked Questions

What is the IUPAC name of 7-ethyltetradecane?
The IUPAC name of 7-ethyltetradecane (CID 529902) is 7-ethyltetradecane.
What is the SMILES notation for 7-ethyltetradecane?
The canonical SMILES for 7-ethyltetradecane is CCCCCCCC(CC)CCCCCC.
What is the InChIKey of 7-ethyltetradecane?
The InChIKey is BLMUTSBGJBEFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-4-7-9-11-13-15-16(6-3)14-12-10-8-5-2/h16H,4-15H2,1-3H3.
What are the key properties of 7-ethyltetradecane?
7-ethyltetradecane has a molecular weight of 226.45 g/mol, XLogP of 6.34, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyltetradecane is sourced from PubChem (CID 529902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).