5-hydroxy-4-propyloctanenitrile

C11H21NO — CID 13164028

IUPAC5-hydroxy-4-propyloctanenitrile
SMILESCCCC(O)C(CCC)CCC#N
InChIInChI=1S/C11H21NO/c1-3-6-10(8-5-9-12)11(13)7-4-2/h10-11,13H,3-8H2,1-2H3
InChIKeyATPRQBZMJASKQA-UHFFFAOYSA-N
MW183.30 g/mol
LogP2.87
Rot. Bonds7

About 5-hydroxy-4-propyloctanenitrile

5-hydroxy-4-propyloctanenitrile (PubChem CID 13164028) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 5-hydroxy-4-propyloctanenitrile.

Molecular Properties

Compound Name5-hydroxy-4-propyloctanenitrile
PubChem CID13164028
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name5-hydroxy-4-propyloctanenitrile
SMILESCCCC(O)C(CCC)CCC#N
InChIInChI=1S/C11H21NO/c1-3-6-10(8-5-9-12)11(13)7-4-2/h10-11,13H,3-8H2,1-2H3
InChIKeyATPRQBZMJASKQA-UHFFFAOYSA-N
XLogP2.87
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-propyloctanenitrile?
The IUPAC name of 5-hydroxy-4-propyloctanenitrile (CID 13164028) is 5-hydroxy-4-propyloctanenitrile.
What is the SMILES notation for 5-hydroxy-4-propyloctanenitrile?
The canonical SMILES for 5-hydroxy-4-propyloctanenitrile is CCCC(O)C(CCC)CCC#N.
What is the InChIKey of 5-hydroxy-4-propyloctanenitrile?
The InChIKey is ATPRQBZMJASKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-6-10(8-5-9-12)11(13)7-4-2/h10-11,13H,3-8H2,1-2H3.
What are the key properties of 5-hydroxy-4-propyloctanenitrile?
5-hydroxy-4-propyloctanenitrile has a molecular weight of 183.30 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-propyloctanenitrile is sourced from PubChem (CID 13164028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).