5-ethenyl-5-ethoxytetradecane

C18H36O — CID 172806244

IUPAC5-ethenyl-5-ethoxytetradecane
SMILESC=CC(CCCC)(CCCCCCCCC)OCC
InChIInChI=1S/C18H36O/c1-5-9-11-12-13-14-15-17-18(7-3,19-8-4)16-10-6-2/h7H,3,5-6,8-17H2,1-2,4H3
InChIKeyRNYYRBTWNSBHMS-UHFFFAOYSA-N
MW268.48 g/mol
LogP6.28
Rot. Bonds14

About 5-ethenyl-5-ethoxytetradecane

5-ethenyl-5-ethoxytetradecane (PubChem CID 172806244) has the molecular formula C18H36O and a molecular weight of 268.48 g/mol. Its IUPAC name is 5-ethenyl-5-ethoxytetradecane.

Molecular Properties

Compound Name5-ethenyl-5-ethoxytetradecane
PubChem CID172806244
Molecular FormulaC18H36O
Molecular Weight268.48 g/mol
Exact Mass268.28
IUPAC Name5-ethenyl-5-ethoxytetradecane
SMILESC=CC(CCCC)(CCCCCCCCC)OCC
InChIInChI=1S/C18H36O/c1-5-9-11-12-13-14-15-17-18(7-3,19-8-4)16-10-6-2/h7H,3,5-6,8-17H2,1-2,4H3
InChIKeyRNYYRBTWNSBHMS-UHFFFAOYSA-N
XLogP6.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.48
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-ethenyl-5-ethoxytetradecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethoxy-3-methyldodec-1-ene
CID 160659750
2,2-diethoxynonane
CID 89439020
4,4-diethoxytridec-1-ene
CID 150818454
ruthenium;1,1,1-triethoxydecane
CID 157324278
2-ethoxy-2-methylundecane
CID 150956805
4-propyl-4-(triethoxymethyl)dodecane
CID 151365628
(2-ethenyl-2-methylhexoxy)silane
CID 123196667
2-ethoxytetradecan-2-ol
CID 154401470
ethene;undecane
CID 161157037
(2S)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]undecan-1-ol
CID 11290574
3-but-3-enoxy-3-methyldodec-1-ene
CID 25185090
3,3-diethoxyoctane
CID 89440562

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-5-ethoxytetradecane?
The IUPAC name of 5-ethenyl-5-ethoxytetradecane (CID 172806244) is 5-ethenyl-5-ethoxytetradecane.
What is the SMILES notation for 5-ethenyl-5-ethoxytetradecane?
The canonical SMILES for 5-ethenyl-5-ethoxytetradecane is C=CC(CCCC)(CCCCCCCCC)OCC.
What is the InChIKey of 5-ethenyl-5-ethoxytetradecane?
The InChIKey is RNYYRBTWNSBHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O/c1-5-9-11-12-13-14-15-17-18(7-3,19-8-4)16-10-6-2/h7H,3,5-6,8-17H2,1-2,4H3.
What are the key properties of 5-ethenyl-5-ethoxytetradecane?
5-ethenyl-5-ethoxytetradecane has a molecular weight of 268.48 g/mol, XLogP of 6.28, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-5-ethoxytetradecane is sourced from PubChem (CID 172806244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).