7-(2-ethoxyethyl)tridecane

C17H36O — CID 130410574

IUPAC7-(2-ethoxyethyl)tridecane
SMILESCCCCCCC(CCCCCC)CCOCC
InChIInChI=1S/C17H36O/c1-4-7-9-11-13-17(15-16-18-6-3)14-12-10-8-5-2/h17H,4-16H2,1-3H3
InChIKeyBANPMUNWYKDRPF-UHFFFAOYSA-N
MW256.47 g/mol
LogP5.97
Rot. Bonds14

About 7-(2-ethoxyethyl)tridecane

7-(2-ethoxyethyl)tridecane (PubChem CID 130410574) has the molecular formula C17H36O and a molecular weight of 256.47 g/mol. Its IUPAC name is 7-(2-ethoxyethyl)tridecane.

Molecular Properties

Compound Name7-(2-ethoxyethyl)tridecane
PubChem CID130410574
Molecular FormulaC17H36O
Molecular Weight256.47 g/mol
Exact Mass256.28
IUPAC Name7-(2-ethoxyethyl)tridecane
SMILESCCCCCCC(CCCCCC)CCOCC
InChIInChI=1S/C17H36O/c1-4-7-9-11-13-17(15-16-18-6-3)14-12-10-8-5-2/h17H,4-16H2,1-3H3
InChIKeyBANPMUNWYKDRPF-UHFFFAOYSA-N
XLogP5.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.47
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(2-ethoxyethyl)dodecane
CID 130410548
13-pentylheptacosane
CID 91387927
10-octylicosane
CID 20514731
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504
9-hexylicosane
CID 54443478
18-hexyl-53-octyl-13-pentyl-48-tetradecylnonahexacontane
CID 162711023
11-pentylheptacosane
CID 91575569
17-pentylhexatriacontane
CID 91327833
6-pentyldocosane
CID 90762104

Frequently Asked Questions

What is the IUPAC name of 7-(2-ethoxyethyl)tridecane?
The IUPAC name of 7-(2-ethoxyethyl)tridecane (CID 130410574) is 7-(2-ethoxyethyl)tridecane.
What is the SMILES notation for 7-(2-ethoxyethyl)tridecane?
The canonical SMILES for 7-(2-ethoxyethyl)tridecane is CCCCCCC(CCCCCC)CCOCC.
What is the InChIKey of 7-(2-ethoxyethyl)tridecane?
The InChIKey is BANPMUNWYKDRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O/c1-4-7-9-11-13-17(15-16-18-6-3)14-12-10-8-5-2/h17H,4-16H2,1-3H3.
What are the key properties of 7-(2-ethoxyethyl)tridecane?
7-(2-ethoxyethyl)tridecane has a molecular weight of 256.47 g/mol, XLogP of 5.97, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethoxyethyl)tridecane is sourced from PubChem (CID 130410574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).