(2E,4E,7Z)-9-hydroxy-2,5-dimethyl-6-methylidenedeca-2,4,7,9-tetraenenitrile

C13H15NO — CID 143794631

IUPAC(2E,4E,7Z)-9-hydroxy-2,5-dimethyl-6-methylidenedeca-2,4,7,9-tetraenenitrile
SMILESC=C(O)/C=C\C(=C)/C(C)=C/C=C(\C)C#N
InChIInChI=1S/C13H15NO/c1-10(9-14)5-6-11(2)12(3)7-8-13(4)15/h5-8,15H,3-4H2,1-2H3/b8-7-,10-5+,11-6+
InChIKeyAGRHIBXLISZEAN-RLHWADFYSA-N
MW201.27 g/mol
LogP3.59
Rot. Bonds4

About (2E,4E,7Z)-9-hydroxy-2,5-dimethyl-6-methylidenedeca-2,4,7,9-tetraenenitrile

(2E,4E,7Z)-9-hydroxy-2,5-dimethyl-6-methylidenedeca-2,4,7,9-tetraenenitrile (PubChem CID 143794631) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (2E,4E,7Z)-9-hydroxy-2,5-dimethyl-6-methylidenedeca-2,4,7,9-tetraenenitrile.

Molecular Properties

Compound Name(2E,4E,7Z)-9-hydroxy-2,5-dimethyl-6-methylidenedeca-2,4,7,9-tetraenenitrile
PubChem CID143794631
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(2E,4E,7Z)-9-hydroxy-2,5-dimethyl-6-methylidenedeca-2,4,7,9-tetraenenitrile
SMILESC=C(O)/C=C\C(=C)/C(C)=C/C=C(\C)C#N
InChIInChI=1S/C13H15NO/c1-10(9-14)5-6-11(2)12(3)7-8-13(4)15/h5-8,15H,3-4H2,1-2H3/b8-7-,10-5+,11-6+
InChIKeyAGRHIBXLISZEAN-RLHWADFYSA-N
XLogP3.59
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z,7E,11E)-7,11-difluoro-13-hydroxy-2,5,6,9,10-pentamethylidenetetradeca-3,7,11,13-tetraenenitrile
CID 145464096
(3E,7E,11E)-3,7,11-trifluoro-13-hydroxy-2,5,6,9,10-pentamethylidenetetradeca-3,7,11,13-tetraenenitrile
CID 145464183
(E)-2-hydroxy-2-methylhept-3-enenitrile
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(Z,2Z)-3-ethyl-2-ethylidene-5-hydroxyhex-3-enenitrile
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4-Hydroxy-2-methylbenzene-6-ide-1-carbonitrile;yttrium
CID 60068937
2-Hydroxy-5-methylcyclohepta-1,3,6-triene-1-carbonitrile
CID 68324994
(3Z,5Z)-5-hydroxy-4-methyl-2-methylidenehepta-3,5-dienenitrile
CID 88580927
(3E,5Z)-7-hydroxy-3-methylocta-3,5,7-trienenitrile
CID 89101945
(E)-2-(1-hydroxyethenyl)-4,4-dimethylpent-2-enenitrile
CID 90452512
2-(4-Hydroxy-3,5-dimethyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)propanedinitrile
CID 91343811
(3Z)-5-hydroxy-2-methylidenehepta-3,5,6-trienenitrile
CID 118928177
(3Z)-5-hydroxy-2-methylidenehexa-3,5-dienenitrile
CID 126723082

Frequently Asked Questions

What is the IUPAC name of (2E,4E,7Z)-9-hydroxy-2,5-dimethyl-6-methylidenedeca-2,4,7,9-tetraenenitrile?
The IUPAC name of (2E,4E,7Z)-9-hydroxy-2,5-dimethyl-6-methylidenedeca-2,4,7,9-tetraenenitrile (CID 143794631) is (2E,4E,7Z)-9-hydroxy-2,5-dimethyl-6-methylidenedeca-2,4,7,9-tetraenenitrile.
What is the SMILES notation for (2E,4E,7Z)-9-hydroxy-2,5-dimethyl-6-methylidenedeca-2,4,7,9-tetraenenitrile?
The canonical SMILES for (2E,4E,7Z)-9-hydroxy-2,5-dimethyl-6-methylidenedeca-2,4,7,9-tetraenenitrile is C=C(O)/C=C\C(=C)/C(C)=C/C=C(\C)C#N.
What is the InChIKey of (2E,4E,7Z)-9-hydroxy-2,5-dimethyl-6-methylidenedeca-2,4,7,9-tetraenenitrile?
The InChIKey is AGRHIBXLISZEAN-RLHWADFYSA-N. The full InChI is InChI=1S/C13H15NO/c1-10(9-14)5-6-11(2)12(3)7-8-13(4)15/h5-8,15H,3-4H2,1-2H3/b8-7-,10-5+,11-6+.
What are the key properties of (2E,4E,7Z)-9-hydroxy-2,5-dimethyl-6-methylidenedeca-2,4,7,9-tetraenenitrile?
(2E,4E,7Z)-9-hydroxy-2,5-dimethyl-6-methylidenedeca-2,4,7,9-tetraenenitrile has a molecular weight of 201.27 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,7Z)-9-hydroxy-2,5-dimethyl-6-methylidenedeca-2,4,7,9-tetraenenitrile is sourced from PubChem (CID 143794631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).