4-ethyl-1,11-dimethoxyundecane

C15H32O2 — CID 171750193

IUPAC4-ethyl-1,11-dimethoxyundecane
SMILESCCC(CCCCCCCOC)CCCOC
InChIInChI=1S/C15H32O2/c1-4-15(12-10-14-17-3)11-8-6-5-7-9-13-16-2/h15H,4-14H2,1-3H3
InChIKeyVOTBGQHCIUMNSR-UHFFFAOYSA-N
MW244.42 g/mol
LogP4.43
Rot. Bonds13

About 4-ethyl-1,11-dimethoxyundecane

4-ethyl-1,11-dimethoxyundecane (PubChem CID 171750193) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is 4-ethyl-1,11-dimethoxyundecane.

Molecular Properties

Compound Name4-ethyl-1,11-dimethoxyundecane
PubChem CID171750193
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Name4-ethyl-1,11-dimethoxyundecane
SMILESCCC(CCCCCCCOC)CCCOC
InChIInChI=1S/C15H32O2/c1-4-15(12-10-14-17-3)11-8-6-5-7-9-13-16-2/h15H,4-14H2,1-3H3
InChIKeyVOTBGQHCIUMNSR-UHFFFAOYSA-N
XLogP4.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-ethyl-1-methoxynonane
CID 118890071
(3R)-3-ethyl-1-iodo-6-methoxyhexane
CID 118973008
2-ethyl-5-methoxypentan-1-ol
CID 66059836
(2R)-2-ethyl-5-methoxypentan-1-ol
CID 59157920
N-(2-ethyl-6-methoxyhexyl)cyclopropanamine
CID 104649189
N-tert-butyl-2-ethyl-5-methoxypentan-1-amine
CID 62515551
(6S)-6-ethyl-8-methoxy-N,N-dimethyloctan-1-amine
CID 118890313
6-bromo-1-methoxyoctane
CID 64507402
(5R)-N,N,5-triethyl-7-methoxyheptan-1-amine
CID 118890299
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,11-dimethoxyundecane?
The IUPAC name of 4-ethyl-1,11-dimethoxyundecane (CID 171750193) is 4-ethyl-1,11-dimethoxyundecane.
What is the SMILES notation for 4-ethyl-1,11-dimethoxyundecane?
The canonical SMILES for 4-ethyl-1,11-dimethoxyundecane is CCC(CCCCCCCOC)CCCOC.
What is the InChIKey of 4-ethyl-1,11-dimethoxyundecane?
The InChIKey is VOTBGQHCIUMNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2/c1-4-15(12-10-14-17-3)11-8-6-5-7-9-13-16-2/h15H,4-14H2,1-3H3.
What are the key properties of 4-ethyl-1,11-dimethoxyundecane?
4-ethyl-1,11-dimethoxyundecane has a molecular weight of 244.42 g/mol, XLogP of 4.43, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,11-dimethoxyundecane is sourced from PubChem (CID 171750193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).