4-ethyl-5-(4-ethylnonan-5-yloxy)nonane

C22H46O — CID 88635662

IUPAC4-ethyl-5-(4-ethylnonan-5-yloxy)nonane
SMILESCCCCC(OC(CCCC)C(CC)CCC)C(CC)CCC
InChIInChI=1S/C22H46O/c1-7-13-17-21(19(11-5)15-9-3)23-22(18-14-8-2)20(12-6)16-10-4/h19-22H,7-18H2,1-6H3
InChIKeyQTIWUMXORLNCQQ-UHFFFAOYSA-N
MW326.61 g/mol
LogP7.77
Rot. Bonds16

About 4-ethyl-5-(4-ethylnonan-5-yloxy)nonane

4-ethyl-5-(4-ethylnonan-5-yloxy)nonane (PubChem CID 88635662) has the molecular formula C22H46O and a molecular weight of 326.61 g/mol. Its IUPAC name is 4-ethyl-5-(4-ethylnonan-5-yloxy)nonane.

Molecular Properties

Compound Name4-ethyl-5-(4-ethylnonan-5-yloxy)nonane
PubChem CID88635662
Molecular FormulaC22H46O
Molecular Weight326.61 g/mol
Exact Mass326.35
IUPAC Name4-ethyl-5-(4-ethylnonan-5-yloxy)nonane
SMILESCCCCC(OC(CCCC)C(CC)CCC)C(CC)CCC
InChIInChI=1S/C22H46O/c1-7-13-17-21(19(11-5)15-9-3)23-22(18-14-8-2)20(12-6)16-10-4/h19-22H,7-18H2,1-6H3
InChIKeyQTIWUMXORLNCQQ-UHFFFAOYSA-N
XLogP7.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.61
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-3-(4-ethyl-1-sulfanyloctan-3-yl)oxyoctane-1-thiol
CID 139643596
4,5-diethylnonane
CID 21188862
6-ethyldecan-5-yloxy(oxo)phosphanium;nickel
CID 160585258
4,5-diethyloctane
CID 519254
6-ethyldecan-5-yloxy hydrogen carbonate
CID 87793236
5-ethyl-4,9,10-tripropyltridecane
CID 21351361
5-ethyloctan-4-yloxy(oxo)phosphanium
CID 150301272
4,5,7-triethylundecane
CID 123222302
7-ethyl-6-propyltridecane
CID 530352
tris(3,4-diethylheptane);methane
CID 160558798
3,4-diethylheptane;ethane
CID 144734225
5-ethylundecan-6-yloxy hydrogen carbonate
CID 87718198

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(4-ethylnonan-5-yloxy)nonane?
The IUPAC name of 4-ethyl-5-(4-ethylnonan-5-yloxy)nonane (CID 88635662) is 4-ethyl-5-(4-ethylnonan-5-yloxy)nonane.
What is the SMILES notation for 4-ethyl-5-(4-ethylnonan-5-yloxy)nonane?
The canonical SMILES for 4-ethyl-5-(4-ethylnonan-5-yloxy)nonane is CCCCC(OC(CCCC)C(CC)CCC)C(CC)CCC.
What is the InChIKey of 4-ethyl-5-(4-ethylnonan-5-yloxy)nonane?
The InChIKey is QTIWUMXORLNCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O/c1-7-13-17-21(19(11-5)15-9-3)23-22(18-14-8-2)20(12-6)16-10-4/h19-22H,7-18H2,1-6H3.
What are the key properties of 4-ethyl-5-(4-ethylnonan-5-yloxy)nonane?
4-ethyl-5-(4-ethylnonan-5-yloxy)nonane has a molecular weight of 326.61 g/mol, XLogP of 7.77, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(4-ethylnonan-5-yloxy)nonane is sourced from PubChem (CID 88635662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).