6-(2-ethoxyethyl)dodecane

C16H34O — CID 130410548

IUPAC6-(2-ethoxyethyl)dodecane
SMILESCCCCCCC(CCCCC)CCOCC
InChIInChI=1S/C16H34O/c1-4-7-9-11-13-16(12-10-8-5-2)14-15-17-6-3/h16H,4-15H2,1-3H3
InChIKeyXQSGZZMJUYHWTF-UHFFFAOYSA-N
MW242.45 g/mol
LogP5.58
Rot. Bonds13

About 6-(2-ethoxyethyl)dodecane

6-(2-ethoxyethyl)dodecane (PubChem CID 130410548) has the molecular formula C16H34O and a molecular weight of 242.45 g/mol. Its IUPAC name is 6-(2-ethoxyethyl)dodecane.

Molecular Properties

Compound Name6-(2-ethoxyethyl)dodecane
PubChem CID130410548
Molecular FormulaC16H34O
Molecular Weight242.45 g/mol
Exact Mass242.26
IUPAC Name6-(2-ethoxyethyl)dodecane
SMILESCCCCCCC(CCCCC)CCOCC
InChIInChI=1S/C16H34O/c1-4-7-9-11-13-16(12-10-8-5-2)14-15-17-6-3/h16H,4-15H2,1-3H3
InChIKeyXQSGZZMJUYHWTF-UHFFFAOYSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.45
LogP ≤ 55.58
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

7-(2-ethoxyethyl)tridecane
CID 130410574
20,26-di(heptadecyl)pentatetracontane
CID 102213068
7-pentylpentacosane
CID 91214353
13-pentylheptacosane
CID 91387927
10-octylicosane
CID 20514731
18-hexyl-53-octyl-13-pentyl-48-tetradecylnonahexacontane
CID 162711023
11-pentylheptacosane
CID 91575569
17-pentylhexatriacontane
CID 91327833
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyethyl)dodecane?
The IUPAC name of 6-(2-ethoxyethyl)dodecane (CID 130410548) is 6-(2-ethoxyethyl)dodecane.
What is the SMILES notation for 6-(2-ethoxyethyl)dodecane?
The canonical SMILES for 6-(2-ethoxyethyl)dodecane is CCCCCCC(CCCCC)CCOCC.
What is the InChIKey of 6-(2-ethoxyethyl)dodecane?
The InChIKey is XQSGZZMJUYHWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O/c1-4-7-9-11-13-16(12-10-8-5-2)14-15-17-6-3/h16H,4-15H2,1-3H3.
What are the key properties of 6-(2-ethoxyethyl)dodecane?
6-(2-ethoxyethyl)dodecane has a molecular weight of 242.45 g/mol, XLogP of 5.58, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyethyl)dodecane is sourced from PubChem (CID 130410548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).