6-hydroxy-3-methylnonanenitrile

C10H19NO — CID 174261450

IUPAC6-hydroxy-3-methylnonanenitrile
SMILESCCCC(O)CCC(C)CC#N
InChIInChI=1S/C10H19NO/c1-3-4-10(12)6-5-9(2)7-8-11/h9-10,12H,3-7H2,1-2H3
InChIKeyCZCAZUJXQKHPLK-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.48
Rot. Bonds6

About 6-hydroxy-3-methylnonanenitrile

6-hydroxy-3-methylnonanenitrile (PubChem CID 174261450) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 6-hydroxy-3-methylnonanenitrile.

Molecular Properties

Compound Name6-hydroxy-3-methylnonanenitrile
PubChem CID174261450
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name6-hydroxy-3-methylnonanenitrile
SMILESCCCC(O)CCC(C)CC#N
InChIInChI=1S/C10H19NO/c1-3-4-10(12)6-5-9(2)7-8-11/h9-10,12H,3-7H2,1-2H3
InChIKeyCZCAZUJXQKHPLK-UHFFFAOYSA-N
XLogP2.48
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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hexan-3-ol
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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-methylnonanenitrile?
The IUPAC name of 6-hydroxy-3-methylnonanenitrile (CID 174261450) is 6-hydroxy-3-methylnonanenitrile.
What is the SMILES notation for 6-hydroxy-3-methylnonanenitrile?
The canonical SMILES for 6-hydroxy-3-methylnonanenitrile is CCCC(O)CCC(C)CC#N.
What is the InChIKey of 6-hydroxy-3-methylnonanenitrile?
The InChIKey is CZCAZUJXQKHPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-4-10(12)6-5-9(2)7-8-11/h9-10,12H,3-7H2,1-2H3.
What are the key properties of 6-hydroxy-3-methylnonanenitrile?
6-hydroxy-3-methylnonanenitrile has a molecular weight of 169.27 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-methylnonanenitrile is sourced from PubChem (CID 174261450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).