5,8-diethyl-6-(2-ethylhexoxy)dodecane

C24H50O — CID 123215209

IUPAC5,8-diethyl-6-(2-ethylhexoxy)dodecane
SMILESCCCCC(CC)COC(CC(CC)CCCC)C(CC)CCCC
InChIInChI=1S/C24H50O/c1-7-13-16-21(10-4)19-24(23(12-6)18-15-9-3)25-20-22(11-5)17-14-8-2/h21-24H,7-20H2,1-6H3
InChIKeyOLMRSLYWBHJMOU-UHFFFAOYSA-N
MW354.66 g/mol
LogP8.41
Rot. Bonds18

About 5,8-diethyl-6-(2-ethylhexoxy)dodecane

5,8-diethyl-6-(2-ethylhexoxy)dodecane (PubChem CID 123215209) has the molecular formula C24H50O and a molecular weight of 354.66 g/mol. Its IUPAC name is 5,8-diethyl-6-(2-ethylhexoxy)dodecane.

Molecular Properties

Compound Name5,8-diethyl-6-(2-ethylhexoxy)dodecane
PubChem CID123215209
Molecular FormulaC24H50O
Molecular Weight354.66 g/mol
Exact Mass354.39
IUPAC Name5,8-diethyl-6-(2-ethylhexoxy)dodecane
SMILESCCCCC(CC)COC(CC(CC)CCCC)C(CC)CCCC
InChIInChI=1S/C24H50O/c1-7-13-16-21(10-4)19-24(23(12-6)18-15-9-3)25-20-22(11-5)17-14-8-2/h21-24H,7-20H2,1-6H3
InChIKeyOLMRSLYWBHJMOU-UHFFFAOYSA-N
XLogP8.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.66
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bis(5,8-diethyldodecan-6-yloxy)-oxophosphanium
CID 23131996
5,8-diethyldodecan-6-yl dihydrogen phosphite
CID 21249648
3-(difluoromethoxymethyl)heptane
CID 162429038
3-(2-ethylhexoxy)hexane-2,5-diol
CID 123693494
3-(1-ethoxyethoxymethyl)heptane
CID 173293823
3-(heptan-3-yloxymethyl)heptane
CID 90211738
4-(5,8-diethyldodecan-6-yloxy)-4-oxobut-2-enoic acid
CID 173071338
5,8-diethyldodecan-6-yloxy(hydroxymethyl)phosphinic acid
CID 88750018
(1R)-1-[(2S)-2-ethylhexoxy]propan-1-amine
CID 96570976
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
7-ethyl-5-methoxy-4-(methoxymethyl)undecane
CID 150587909
4,5,7-triethylundecane
CID 123222302

Frequently Asked Questions

What is the IUPAC name of 5,8-diethyl-6-(2-ethylhexoxy)dodecane?
The IUPAC name of 5,8-diethyl-6-(2-ethylhexoxy)dodecane (CID 123215209) is 5,8-diethyl-6-(2-ethylhexoxy)dodecane.
What is the SMILES notation for 5,8-diethyl-6-(2-ethylhexoxy)dodecane?
The canonical SMILES for 5,8-diethyl-6-(2-ethylhexoxy)dodecane is CCCCC(CC)COC(CC(CC)CCCC)C(CC)CCCC.
What is the InChIKey of 5,8-diethyl-6-(2-ethylhexoxy)dodecane?
The InChIKey is OLMRSLYWBHJMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O/c1-7-13-16-21(10-4)19-24(23(12-6)18-15-9-3)25-20-22(11-5)17-14-8-2/h21-24H,7-20H2,1-6H3.
What are the key properties of 5,8-diethyl-6-(2-ethylhexoxy)dodecane?
5,8-diethyl-6-(2-ethylhexoxy)dodecane has a molecular weight of 354.66 g/mol, XLogP of 8.41, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-diethyl-6-(2-ethylhexoxy)dodecane is sourced from PubChem (CID 123215209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).