(2Z)-2-(2-hydroxy-2-methylpropylidene)hexanenitrile

C10H17NO — CID 14266432

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

About (2Z)-2-(2-hydroxy-2-methylpropylidene)hexanenitrile

(2Z)-2-(2-hydroxy-2-methylpropylidene)hexanenitrile (PubChem CID 14266432) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2Z)-2-(2-hydroxy-2-methylpropylidene)hexanenitrile.

Molecular Properties

Compound Name(2Z)-2-(2-hydroxy-2-methylpropylidene)hexanenitrile
PubChem CID14266432
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2Z)-2-(2-hydroxy-2-methylpropylidene)hexanenitrile
SMILESCCCC/C(C#N)=C/C(C)(C)O
InChIInChI=1S/C10H17NO/c1-4-5-6-9(8-11)7-10(2,3)12/h7,12H,4-6H2,1-3H3/b9-7-
InChIKeyXPLVHGULHOCATM-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': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

(4E)-3-hydroxy-5,9-dimethyl-2-methylidenedeca-4,8-dienenitrile
CID 15520855
(E)-2-(2-hydroxybutan-2-yl)but-2-enedinitrile
CID 131862955
(Z)-2-hydroxy-2,4-dimethyloct-3-enenitrile
CID 134943174
(2Z)-2-(2-hydroxyethylidene)decanenitrile
CID 135049668
ethane;(2Z,4E)-2-(1-hydroxyethenyl)-4,5-dimethylocta-2,4-dienenitrile
CID 141907497
(2E,4E,7Z)-2-ethyl-9-hydroxy-5-methyl-6-methylidenedeca-2,4,7,9-tetraenenitrile
CID 143794627
ethane;(2E,4E,7Z)-9-hydroxy-2,5-dimethyl-6-methylidenedeca-2,4,7,9-tetraenenitrile
CID 143794630
(2E,4E)-2-butyl-4-hydroxy-3-methylhepta-2,4,6-trienenitrile
CID 156232835
(E)-2-(2-hydroxypropan-2-yl)hept-2-enenitrile
CID 14266422
(2Z)-2-(2-methoxy-2-methylpropylidene)hexanenitrile
CID 14266433
(E)-3-hydroxy-3,4-dimethylhex-4-enenitrile
CID 15174574
(Z)-2-(2-hydroxybutan-2-yl)but-2-enedinitrile
CID 101397633

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(2-hydroxy-2-methylpropylidene)hexanenitrile?
The IUPAC name of (2Z)-2-(2-hydroxy-2-methylpropylidene)hexanenitrile (CID 14266432) is (2Z)-2-(2-hydroxy-2-methylpropylidene)hexanenitrile.
What is the SMILES notation for (2Z)-2-(2-hydroxy-2-methylpropylidene)hexanenitrile?
The canonical SMILES for (2Z)-2-(2-hydroxy-2-methylpropylidene)hexanenitrile is CCCC/C(C#N)=C/C(C)(C)O.
What is the InChIKey of (2Z)-2-(2-hydroxy-2-methylpropylidene)hexanenitrile?
The InChIKey is XPLVHGULHOCATM-CLFYSBASSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-5-6-9(8-11)7-10(2,3)12/h7,12H,4-6H2,1-3H3/b9-7-.
What are the key properties of (2Z)-2-(2-hydroxy-2-methylpropylidene)hexanenitrile?
(2Z)-2-(2-hydroxy-2-methylpropylidene)hexanenitrile 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 (2Z)-2-(2-hydroxy-2-methylpropylidene)hexanenitrile is sourced from PubChem (CID 14266432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).