1-chloro-14-ethoxytetradecane

C16H33ClO — CID 173330502

IUPAC1-chloro-14-ethoxytetradecane
SMILESCCOCCCCCCCCCCCCCCCl
InChIInChI=1S/C16H33ClO/c1-2-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17/h2-16H2,1H3
InChIKeySSRYGFYDWUZFQF-UHFFFAOYSA-N
MW276.89 g/mol
LogP5.94
Rot. Bonds15

About 1-chloro-14-ethoxytetradecane

1-chloro-14-ethoxytetradecane (PubChem CID 173330502) has the molecular formula C16H33ClO and a molecular weight of 276.89 g/mol. Its IUPAC name is 1-chloro-14-ethoxytetradecane.

Molecular Properties

Compound Name1-chloro-14-ethoxytetradecane
PubChem CID173330502
Molecular FormulaC16H33ClO
Molecular Weight276.89 g/mol
Exact Mass276.22
IUPAC Name1-chloro-14-ethoxytetradecane
SMILESCCOCCCCCCCCCCCCCCCl
InChIInChI=1S/C16H33ClO/c1-2-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17/h2-16H2,1H3
InChIKeySSRYGFYDWUZFQF-UHFFFAOYSA-N
XLogP5.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.89
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-chloro-14-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

1-chloro-6-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]hexane
CID 89239780
1-(5-chloropentoxy)octane
CID 43348463
1-chloro-6-[2-(2-chloroethoxy)ethoxy]hexane
CID 176729124
1-chloro-5-(2-methoxyethoxy)pentane
CID 43348436
1-(3-ethoxypropoxy)tetradecane
CID 91693148
10-ethoxydecan-1-ol
CID 22412883
2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethanamine;chloromethane
CID 170630324
1-(2-chloroethoxy)octane
CID 20788542
1-ethoxy-14-(8-fluorooctoxy)tetradecane
CID 139714700
1-chloro-6-[2-(3-methylsulfanylpropoxy)ethoxy]hexane
CID 126668249
1-(6-chlorohexoxy)-4-ethoxybenzene
CID 63498933
4-ethoxybutoxymethanethiol
CID 87914042

Frequently Asked Questions

What is the IUPAC name of 1-chloro-14-ethoxytetradecane?
The IUPAC name of 1-chloro-14-ethoxytetradecane (CID 173330502) is 1-chloro-14-ethoxytetradecane.
What is the SMILES notation for 1-chloro-14-ethoxytetradecane?
The canonical SMILES for 1-chloro-14-ethoxytetradecane is CCOCCCCCCCCCCCCCCCl.
What is the InChIKey of 1-chloro-14-ethoxytetradecane?
The InChIKey is SSRYGFYDWUZFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33ClO/c1-2-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17/h2-16H2,1H3.
What are the key properties of 1-chloro-14-ethoxytetradecane?
1-chloro-14-ethoxytetradecane has a molecular weight of 276.89 g/mol, XLogP of 5.94, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-14-ethoxytetradecane is sourced from PubChem (CID 173330502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).