5-ethyl-7-(7-ethylundecan-5-yloxy)undecane

C26H54O — CID 57166671

IUPAC5-ethyl-7-(7-ethylundecan-5-yloxy)undecane
SMILESCCCCC(CC)CC(CCCC)OC(CCCC)CC(CC)CCCC
InChIInChI=1S/C26H54O/c1-7-13-17-23(11-5)21-25(19-15-9-3)27-26(20-16-10-4)22-24(12-6)18-14-8-2/h23-26H,7-22H2,1-6H3
InChIKeyXWXAXLXAZIJBGN-UHFFFAOYSA-N
MW382.72 g/mol
LogP9.33
Rot. Bonds20

About 5-ethyl-7-(7-ethylundecan-5-yloxy)undecane

5-ethyl-7-(7-ethylundecan-5-yloxy)undecane (PubChem CID 57166671) has the molecular formula C26H54O and a molecular weight of 382.72 g/mol. Its IUPAC name is 5-ethyl-7-(7-ethylundecan-5-yloxy)undecane.

Molecular Properties

Compound Name5-ethyl-7-(7-ethylundecan-5-yloxy)undecane
PubChem CID57166671
Molecular FormulaC26H54O
Molecular Weight382.72 g/mol
Exact Mass382.42
IUPAC Name5-ethyl-7-(7-ethylundecan-5-yloxy)undecane
SMILESCCCCC(CC)CC(CCCC)OC(CCCC)CC(CC)CCCC
InChIInChI=1S/C26H54O/c1-7-13-17-23(11-5)21-25(19-15-9-3)27-26(20-16-10-4)22-24(12-6)18-14-8-2/h23-26H,7-22H2,1-6H3
InChIKeyXWXAXLXAZIJBGN-UHFFFAOYSA-N
XLogP9.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.72
LogP ≤ 59.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-ethyl-7-(7-ethylundecan-5-yloxy)undecane 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-1-(1-chloro-3-ethylheptoxy)-3-ethylheptane
CID 163418082
(5S)-3,5-diethylnonane;methane
CID 159387669
5,9-diethyl-7-(2-ethylpentyl)tridecane
CID 170533070
5-ethylhexadecan-7-yl prop-2-enoate
CID 150115534
5,8,10-triethylpentadecane
CID 123791231
3-(heptan-3-yloxymethyl)heptane
CID 90211738
3-icosan-3-yloxyicosane
CID 22595200
3-pentadecan-3-yloxypentadecane
CID 57200588
(2R,4S)-4-ethyloctan-2-ol
CID 7015159
5,9-diethyl-7-(2-methylpropyl)tridecane
CID 173141748
1-bromo-2-(bromomethyl)-4-ethyloctane
CID 79453093
6-ethyl-4-methyldecane
CID 22224210

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-(7-ethylundecan-5-yloxy)undecane?
The IUPAC name of 5-ethyl-7-(7-ethylundecan-5-yloxy)undecane (CID 57166671) is 5-ethyl-7-(7-ethylundecan-5-yloxy)undecane.
What is the SMILES notation for 5-ethyl-7-(7-ethylundecan-5-yloxy)undecane?
The canonical SMILES for 5-ethyl-7-(7-ethylundecan-5-yloxy)undecane is CCCCC(CC)CC(CCCC)OC(CCCC)CC(CC)CCCC.
What is the InChIKey of 5-ethyl-7-(7-ethylundecan-5-yloxy)undecane?
The InChIKey is XWXAXLXAZIJBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O/c1-7-13-17-23(11-5)21-25(19-15-9-3)27-26(20-16-10-4)22-24(12-6)18-14-8-2/h23-26H,7-22H2,1-6H3.
What are the key properties of 5-ethyl-7-(7-ethylundecan-5-yloxy)undecane?
5-ethyl-7-(7-ethylundecan-5-yloxy)undecane has a molecular weight of 382.72 g/mol, XLogP of 9.33, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-(7-ethylundecan-5-yloxy)undecane is sourced from PubChem (CID 57166671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).