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

C14H17NO — CID 143794627

IUPAC(2E,4E,7Z)-2-ethyl-9-hydroxy-5-methyl-6-methylidenedeca-2,4,7,9-tetraenenitrile
SMILESC=C(O)/C=C\C(=C)/C(C)=C\C=C(\C#N)CC
InChIInChI=1S/C14H17NO/c1-5-14(10-15)9-7-12(3)11(2)6-8-13(4)16/h6-9,16H,2,4-5H2,1,3H3/b8-6-,12-7+,14-9+
InChIKeyDPOVNKIUDOODTP-DXHXICTMSA-N
MW215.30 g/mol
LogP3.98
Rot. Bonds5

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

(2E,4E,7Z)-2-ethyl-9-hydroxy-5-methyl-6-methylidenedeca-2,4,7,9-tetraenenitrile (PubChem CID 143794627) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (2E,4E,7Z)-2-ethyl-9-hydroxy-5-methyl-6-methylidenedeca-2,4,7,9-tetraenenitrile.

Molecular Properties

Compound Name(2E,4E,7Z)-2-ethyl-9-hydroxy-5-methyl-6-methylidenedeca-2,4,7,9-tetraenenitrile
PubChem CID143794627
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(2E,4E,7Z)-2-ethyl-9-hydroxy-5-methyl-6-methylidenedeca-2,4,7,9-tetraenenitrile
SMILESC=C(O)/C=C\C(=C)/C(C)=C\C=C(\C#N)CC
InChIInChI=1S/C14H17NO/c1-5-14(10-15)9-7-12(3)11(2)6-8-13(4)16/h6-9,16H,2,4-5H2,1,3H3/b8-6-,12-7+,14-9+
InChIKeyDPOVNKIUDOODTP-DXHXICTMSA-N
XLogP3.98
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.98
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
(Z,2Z)-3-ethyl-2-ethylidene-5-hydroxyhex-3-enenitrile
CID 10975836
2-Hydroxy-5-methylcyclohepta-1,3,6-triene-1-carbonitrile
CID 68324994
4-Hydroxy-2-(1-methylethyl)-5,9,13-trimethyl-2,4,8,12-tetradecatetraenenitrile
CID 86747213
(2E,4Z,8E)-4-hydroxy-5,9,13-trimethyl-2-propan-2-yltetradeca-2,4,8,12-tetraenenitrile
CID 88462042
(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
(3Z)-5-hydroxy-2-methylidenehepta-3,5,6-trienenitrile
CID 118928177
(3Z)-5-hydroxy-2-methylidenehexa-3,5-dienenitrile
CID 126723082
(3Z,7Z)-9-hydroxy-2,5,6-trimethylidenedeca-3,7,9-trienenitrile
CID 134242142
(2E)-4-hydroxy-2-[(E)-2-hydroxyprop-1-enyl]penta-2,4-dienenitrile
CID 134361097

Frequently Asked Questions

What is the IUPAC name of (2E,4E,7Z)-2-ethyl-9-hydroxy-5-methyl-6-methylidenedeca-2,4,7,9-tetraenenitrile?
The IUPAC name of (2E,4E,7Z)-2-ethyl-9-hydroxy-5-methyl-6-methylidenedeca-2,4,7,9-tetraenenitrile (CID 143794627) is (2E,4E,7Z)-2-ethyl-9-hydroxy-5-methyl-6-methylidenedeca-2,4,7,9-tetraenenitrile.
What is the SMILES notation for (2E,4E,7Z)-2-ethyl-9-hydroxy-5-methyl-6-methylidenedeca-2,4,7,9-tetraenenitrile?
The canonical SMILES for (2E,4E,7Z)-2-ethyl-9-hydroxy-5-methyl-6-methylidenedeca-2,4,7,9-tetraenenitrile is C=C(O)/C=C\C(=C)/C(C)=C\C=C(\C#N)CC.
What is the InChIKey of (2E,4E,7Z)-2-ethyl-9-hydroxy-5-methyl-6-methylidenedeca-2,4,7,9-tetraenenitrile?
The InChIKey is DPOVNKIUDOODTP-DXHXICTMSA-N. The full InChI is InChI=1S/C14H17NO/c1-5-14(10-15)9-7-12(3)11(2)6-8-13(4)16/h6-9,16H,2,4-5H2,1,3H3/b8-6-,12-7+,14-9+.
What are the key properties of (2E,4E,7Z)-2-ethyl-9-hydroxy-5-methyl-6-methylidenedeca-2,4,7,9-tetraenenitrile?
(2E,4E,7Z)-2-ethyl-9-hydroxy-5-methyl-6-methylidenedeca-2,4,7,9-tetraenenitrile has a molecular weight of 215.30 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,7Z)-2-ethyl-9-hydroxy-5-methyl-6-methylidenedeca-2,4,7,9-tetraenenitrile is sourced from PubChem (CID 143794627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).