5-ethylnonane;5-propylnonane

C23H50 — CID 157441807

IUPAC5-ethylnonane;5-propylnonane
SMILESCCCCC(CC)CCCC.CCCCC(CCC)CCCC
InChIInChI=1S/C12H26.C11H24/c1-4-7-10-12(9-6-3)11-8-5-2;1-4-7-9-11(6-3)10-8-5-2/h12H,4-11H2,1-3H3;11H,4-10H2,1-3H3
InChIKeyBRTKKODMPATMDE-UHFFFAOYSA-N
MW326.65 g/mol
LogP9.18
Rot. Bonds15

About 5-ethylnonane;5-propylnonane

5-ethylnonane;5-propylnonane (PubChem CID 157441807) has the molecular formula C23H50 and a molecular weight of 326.65 g/mol. Its IUPAC name is 5-ethylnonane;5-propylnonane.

Molecular Properties

Compound Name5-ethylnonane;5-propylnonane
PubChem CID157441807
Molecular FormulaC23H50
Molecular Weight326.65 g/mol
Exact Mass326.39
IUPAC Name5-ethylnonane;5-propylnonane
SMILESCCCCC(CC)CCCC.CCCCC(CCC)CCCC
InChIInChI=1S/C12H26.C11H24/c1-4-7-10-12(9-6-3)11-8-5-2;1-4-7-9-11(6-3)10-8-5-2/h12H,4-11H2,1-3H3;11H,4-10H2,1-3H3
InChIKeyBRTKKODMPATMDE-UHFFFAOYSA-N
XLogP9.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.65
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

methane;4-propyloctane
CID 160687994
5,9-dibutyl-13-propylheptadecane
CID 58862392
8-(3-ethylhexyl)hexadecane
CID 123944120
4-ethylhexadecane
CID 528433
4-ethylnonadecane
CID 22223766
3-propylheptan-1-ol
CID 22492543
5,9-diethyl-7-(2-ethylpentyl)tridecane
CID 170533070
5-propylpentacosane
CID 91493421
4-ethylheptane;3-methylheptane
CID 143099611
8-ethyl-2-methyl-4-propyldodecane
CID 123360222
4-ethylheptane;methane
CID 143165373
4,5-dipropylnonane;5-propylnonane
CID 157465342

Frequently Asked Questions

What is the IUPAC name of 5-ethylnonane;5-propylnonane?
The IUPAC name of 5-ethylnonane;5-propylnonane (CID 157441807) is 5-ethylnonane;5-propylnonane.
What is the SMILES notation for 5-ethylnonane;5-propylnonane?
The canonical SMILES for 5-ethylnonane;5-propylnonane is CCCCC(CC)CCCC.CCCCC(CCC)CCCC.
What is the InChIKey of 5-ethylnonane;5-propylnonane?
The InChIKey is BRTKKODMPATMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26.C11H24/c1-4-7-10-12(9-6-3)11-8-5-2;1-4-7-9-11(6-3)10-8-5-2/h12H,4-11H2,1-3H3;11H,4-10H2,1-3H3.
What are the key properties of 5-ethylnonane;5-propylnonane?
5-ethylnonane;5-propylnonane has a molecular weight of 326.65 g/mol, XLogP of 9.18, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylnonane;5-propylnonane is sourced from PubChem (CID 157441807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).