(E)-3-hydroxy-3-methylnon-6-enenitrile

C10H17NO — CID 164540436

IUPAC(E)-3-hydroxy-3-methylnon-6-enenitrile
SMILESCC/C=C/CCC(C)(O)CC#N
InChIInChI=1S/C10H17NO/c1-3-4-5-6-7-10(2,12)8-9-11/h4-5,12H,3,6-8H2,1-2H3/b5-4+
InChIKeyGXINDANXMIKOPL-SNAWJCMRSA-N
MW167.25 g/mol
LogP2.40
Rot. Bonds5

About (E)-3-hydroxy-3-methylnon-6-enenitrile

(E)-3-hydroxy-3-methylnon-6-enenitrile (PubChem CID 164540436) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (E)-3-hydroxy-3-methylnon-6-enenitrile.

Molecular Properties

Compound Name(E)-3-hydroxy-3-methylnon-6-enenitrile
PubChem CID164540436
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(E)-3-hydroxy-3-methylnon-6-enenitrile
SMILESCC/C=C/CCC(C)(O)CC#N
InChIInChI=1S/C10H17NO/c1-3-4-5-6-7-10(2,12)8-9-11/h4-5,12H,3,6-8H2,1-2H3/b5-4+
InChIKeyGXINDANXMIKOPL-SNAWJCMRSA-N
XLogP2.40
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S,4E)-1-hydroxycyclooct-4-en-1-yl]acetonitrile
CID 162413200
(E)-5-hydroxy-5-methyloct-2-enenitrile
CID 135038339
(5E)-2-hydroxy-2,6,10-trimethylundeca-5,9-dienenitrile
CID 135046799
7-Nonenenitrile, 4-hydroxy-4,8-dimethyl-
CID 10214431
7-Nonenenitrile, 4-hydroxy-4,8-dimethyl-, (4S)-
CID 11672773
3-Hydroxy-3,7-dimethyloct-6-enenitrile
CID 20538474
(4R)-4-Hydroxy-4,8-dimethylnon-7-enenitrile
CID 71443357
(E)-7-hydroxy-3,7-dimethyloct-3-enenitrile
CID 88755844
(E)-7-hydroxy-2,7-dimethylnon-2-enenitrile
CID 88773351
7-Hydroxy-3,7-dimethyloct-3-enenitrile
CID 141543615
3-Hydroxy-2-methylnon-6-enenitrile
CID 164145815
(E)-3-hydroxy-3-methylnon-6-enenitrile;propane
CID 164540435

Frequently Asked Questions

What is the IUPAC name of (E)-3-hydroxy-3-methylnon-6-enenitrile?
The IUPAC name of (E)-3-hydroxy-3-methylnon-6-enenitrile (CID 164540436) is (E)-3-hydroxy-3-methylnon-6-enenitrile.
What is the SMILES notation for (E)-3-hydroxy-3-methylnon-6-enenitrile?
The canonical SMILES for (E)-3-hydroxy-3-methylnon-6-enenitrile is CC/C=C/CCC(C)(O)CC#N.
What is the InChIKey of (E)-3-hydroxy-3-methylnon-6-enenitrile?
The InChIKey is GXINDANXMIKOPL-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-4-5-6-7-10(2,12)8-9-11/h4-5,12H,3,6-8H2,1-2H3/b5-4+.
What are the key properties of (E)-3-hydroxy-3-methylnon-6-enenitrile?
(E)-3-hydroxy-3-methylnon-6-enenitrile has a molecular weight of 167.25 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-hydroxy-3-methylnon-6-enenitrile is sourced from PubChem (CID 164540436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).