5-butyl-5-(5-butylnonan-5-yloxy)nonane

C26H54O — CID 57230356

IUPAC5-butyl-5-(5-butylnonan-5-yloxy)nonane
SMILESCCCCC(CCCC)(CCCC)OC(CCCC)(CCCC)CCCC
InChIInChI=1S/C26H54O/c1-7-13-19-25(20-14-8-2,21-15-9-3)27-26(22-16-10-4,23-17-11-5)24-18-12-6/h7-24H2,1-6H3
InChIKeyDXJSJHFRGIYTJZ-UHFFFAOYSA-N
MW382.72 g/mol
LogP9.62
Rot. Bonds20

About 5-butyl-5-(5-butylnonan-5-yloxy)nonane

5-butyl-5-(5-butylnonan-5-yloxy)nonane (PubChem CID 57230356) has the molecular formula C26H54O and a molecular weight of 382.72 g/mol. Its IUPAC name is 5-butyl-5-(5-butylnonan-5-yloxy)nonane.

Molecular Properties

Compound Name5-butyl-5-(5-butylnonan-5-yloxy)nonane
PubChem CID57230356
Molecular FormulaC26H54O
Molecular Weight382.72 g/mol
Exact Mass382.42
IUPAC Name5-butyl-5-(5-butylnonan-5-yloxy)nonane
SMILESCCCCC(CCCC)(CCCC)OC(CCCC)(CCCC)CCCC
InChIInChI=1S/C26H54O/c1-7-13-19-25(20-14-8-2,21-15-9-3)27-26(22-16-10-4,23-17-11-5)24-18-12-6/h7-24H2,1-6H3
InChIKeyDXJSJHFRGIYTJZ-UHFFFAOYSA-N
XLogP9.62
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 ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

19-(35-hydroxy-17-pentadecylpentatriacontan-17-yl)oxy-19-pentadecylpentatriacontan-1-ol
CID 139975376
5-propylnonan-5-yloxyphosphane
CID 23352969
tris(3-ethylheptan-3-yl) phosphite
CID 175009117
tris(3-ethylheptan-3-yloxy)alumane
CID 141438993
1-(1,1-difluoropentoxy)-1,1-difluoropentane
CID 121434513
5-methoxy-5-(3-methoxypropyl)nonane
CID 141413448
14-tridecyloctacosan-14-yloxysilane
CID 173060340
11-methoxy-11-nonyltetracosane
CID 159441841
17-hexadecyltetratriacontan-17-yloxysilane
CID 173060502
3-ethylheptan-3-yloxyphosphinous acid
CID 141201848
oxo-bis(5-propylnonan-5-yloxy)phosphanium
CID 87060248
11-propyl-11-(11-propylhenicosan-11-ylperoxy)henicosane
CID 155668142

Frequently Asked Questions

What is the IUPAC name of 5-butyl-5-(5-butylnonan-5-yloxy)nonane?
The IUPAC name of 5-butyl-5-(5-butylnonan-5-yloxy)nonane (CID 57230356) is 5-butyl-5-(5-butylnonan-5-yloxy)nonane.
What is the SMILES notation for 5-butyl-5-(5-butylnonan-5-yloxy)nonane?
The canonical SMILES for 5-butyl-5-(5-butylnonan-5-yloxy)nonane is CCCCC(CCCC)(CCCC)OC(CCCC)(CCCC)CCCC.
What is the InChIKey of 5-butyl-5-(5-butylnonan-5-yloxy)nonane?
The InChIKey is DXJSJHFRGIYTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O/c1-7-13-19-25(20-14-8-2,21-15-9-3)27-26(22-16-10-4,23-17-11-5)24-18-12-6/h7-24H2,1-6H3.
What are the key properties of 5-butyl-5-(5-butylnonan-5-yloxy)nonane?
5-butyl-5-(5-butylnonan-5-yloxy)nonane has a molecular weight of 382.72 g/mol, XLogP of 9.62, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-5-(5-butylnonan-5-yloxy)nonane is sourced from PubChem (CID 57230356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).