2-hydroxy-4,8-dimethylnon-7-enenitrile

C11H19NO — CID 59050259

IUPAC2-hydroxy-4,8-dimethylnon-7-enenitrile
SMILESCC(C)=CCCC(C)CC(O)C#N
InChIInChI=1S/C11H19NO/c1-9(2)5-4-6-10(3)7-11(13)8-12/h5,10-11,13H,4,6-7H2,1-3H3
InChIKeyCVTCYYZKWCDYID-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.64
Rot. Bonds5

About 2-hydroxy-4,8-dimethylnon-7-enenitrile

2-hydroxy-4,8-dimethylnon-7-enenitrile (PubChem CID 59050259) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-hydroxy-4,8-dimethylnon-7-enenitrile.

Molecular Properties

Compound Name2-hydroxy-4,8-dimethylnon-7-enenitrile
PubChem CID59050259
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-hydroxy-4,8-dimethylnon-7-enenitrile
SMILESCC(C)=CCCC(C)CC(O)C#N
InChIInChI=1S/C11H19NO/c1-9(2)5-4-6-10(3)7-11(13)8-12/h5,10-11,13H,4,6-7H2,1-3H3
InChIKeyCVTCYYZKWCDYID-UHFFFAOYSA-N
XLogP2.64
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4S)-2-(dimethylamino)-4,8-dimethylnon-7-enenitrile
CID 11557534
3,7-dimethyloct-6-enenitrile
CID 89052536
(5R)-5,9-dimethyldeca-1,8-dien-3-ol
CID 10986927
(2Z,4S,6R)-6,10-dimethylundeca-2,9-dien-4-ol
CID 139824549
(5S)-2-(dimethylamino)-5,9-dimethyldec-8-enenitrile
CID 143334777
3,7-dimethyl-2-propan-2-yloct-6-enenitrile
CID 86099595
(6S)-6,10-dimethylundeca-1,9-dien-4-ol
CID 11030747
3,7-dimethyloct-6-enyl thiocyanate
CID 119088419
6,10-dimethylundeca-1,9-dien-4-ol
CID 11019804
(2R)-2,6-dimethylhept-5-en-1-amine
CID 163211564
(3S,7R,9S)-2,9,13-trimethyl-5-methylidenetetradec-12-ene-3,7-diol
CID 138976111
3,7-dimethyloct-6-enal;3,7-dimethyloct-6-enenitrile
CID 174893210

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4,8-dimethylnon-7-enenitrile?
The IUPAC name of 2-hydroxy-4,8-dimethylnon-7-enenitrile (CID 59050259) is 2-hydroxy-4,8-dimethylnon-7-enenitrile.
What is the SMILES notation for 2-hydroxy-4,8-dimethylnon-7-enenitrile?
The canonical SMILES for 2-hydroxy-4,8-dimethylnon-7-enenitrile is CC(C)=CCCC(C)CC(O)C#N.
What is the InChIKey of 2-hydroxy-4,8-dimethylnon-7-enenitrile?
The InChIKey is CVTCYYZKWCDYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(2)5-4-6-10(3)7-11(13)8-12/h5,10-11,13H,4,6-7H2,1-3H3.
What are the key properties of 2-hydroxy-4,8-dimethylnon-7-enenitrile?
2-hydroxy-4,8-dimethylnon-7-enenitrile has a molecular weight of 181.28 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4,8-dimethylnon-7-enenitrile is sourced from PubChem (CID 59050259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).