(Z)-2-hydroxy-2,4-dimethyloct-3-enenitrile

C10H17NO — CID 134943174

IUPAC(Z)-2-hydroxy-2,4-dimethyloct-3-enenitrile
SMILESCCCC/C(C)=C\C(C)(O)C#N
InChIInChI=1S/C10H17NO/c1-4-5-6-9(2)7-10(3,12)8-11/h7,12H,4-6H2,1-3H3/b9-7-
InChIKeyVZQHUBVXAZZVLC-CLFYSBASSA-N
MW167.25 g/mol
LogP2.40
Rot. Bonds4

About (Z)-2-hydroxy-2,4-dimethyloct-3-enenitrile

(Z)-2-hydroxy-2,4-dimethyloct-3-enenitrile (PubChem CID 134943174) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (Z)-2-hydroxy-2,4-dimethyloct-3-enenitrile.

Molecular Properties

Compound Name(Z)-2-hydroxy-2,4-dimethyloct-3-enenitrile
PubChem CID134943174
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(Z)-2-hydroxy-2,4-dimethyloct-3-enenitrile
SMILESCCCC/C(C)=C\C(C)(O)C#N
InChIInChI=1S/C10H17NO/c1-4-5-6-9(2)7-10(3,12)8-11/h7,12H,4-6H2,1-3H3/b9-7-
InChIKeyVZQHUBVXAZZVLC-CLFYSBASSA-N
XLogP2.40
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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': 'cyanohydrins', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3E)-2-hydroxy-4,8-dimethylnona-3,7-dienenitrile
CID 11964173
(E)-2-hydroxy-2-methylhept-3-enenitrile
CID 134963677
(3E)-2-hydroxy-4,8-dimethylnona-3,7-dienenitrile
CID 46201126
2-Hydroxy-4,8-dimethylnona-3,7-dienenitrile
CID 73155106
(E)-2-(2-hydroxypropan-2-yl)hept-2-enenitrile
CID 14266422
(2Z)-2-(2-hydroxy-2-methylpropylidene)hexanenitrile
CID 14266432
(E)-3-hydroxy-3,4-dimethylhex-4-enenitrile
CID 15174574
2-Hydroxy-2,4-dimethylpent-3-enenitrile
CID 66180051
(E,2S)-2-hydroxy-2-methylhept-3-enenitrile
CID 101857669

Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxy-2,4-dimethyloct-3-enenitrile?
The IUPAC name of (Z)-2-hydroxy-2,4-dimethyloct-3-enenitrile (CID 134943174) is (Z)-2-hydroxy-2,4-dimethyloct-3-enenitrile.
What is the SMILES notation for (Z)-2-hydroxy-2,4-dimethyloct-3-enenitrile?
The canonical SMILES for (Z)-2-hydroxy-2,4-dimethyloct-3-enenitrile is CCCC/C(C)=C\C(C)(O)C#N.
What is the InChIKey of (Z)-2-hydroxy-2,4-dimethyloct-3-enenitrile?
The InChIKey is VZQHUBVXAZZVLC-CLFYSBASSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-5-6-9(2)7-10(3,12)8-11/h7,12H,4-6H2,1-3H3/b9-7-.
What are the key properties of (Z)-2-hydroxy-2,4-dimethyloct-3-enenitrile?
(Z)-2-hydroxy-2,4-dimethyloct-3-enenitrile has a molecular weight of 167.25 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-2,4-dimethyloct-3-enenitrile is sourced from PubChem (CID 134943174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).