(1E,3Z)-2-methoxy-5-methyl-1-nitrosohexa-1,3,5-triene

C8H11NO2 — CID 126518289

IUPAC(1E,3Z)-2-methoxy-5-methyl-1-nitrosohexa-1,3,5-triene
SMILESC=C(C)/C=C\C(=C/N=O)OC
InChIInChI=1S/C8H11NO2/c1-7(2)4-5-8(11-3)6-9-10/h4-6H,1H2,2-3H3/b5-4-,8-6+
InChIKeyWTWOCSPDQZRZSI-GSGSLZOQSA-N
MW153.18 g/mol
LogP2.37
Rot. Bonds4

About (1E,3Z)-2-methoxy-5-methyl-1-nitrosohexa-1,3,5-triene

(1E,3Z)-2-methoxy-5-methyl-1-nitrosohexa-1,3,5-triene (PubChem CID 126518289) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (1E,3Z)-2-methoxy-5-methyl-1-nitrosohexa-1,3,5-triene.

Molecular Properties

Compound Name(1E,3Z)-2-methoxy-5-methyl-1-nitrosohexa-1,3,5-triene
PubChem CID126518289
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(1E,3Z)-2-methoxy-5-methyl-1-nitrosohexa-1,3,5-triene
SMILESC=C(C)/C=C\C(=C/N=O)OC
InChIInChI=1S/C8H11NO2/c1-7(2)4-5-8(11-3)6-9-10/h4-6H,1H2,2-3H3/b5-4-,8-6+
InChIKeyWTWOCSPDQZRZSI-GSGSLZOQSA-N
XLogP2.37
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-2-methoxy-5-methyl-1-nitrosohexa-1,3,5-triene?
The IUPAC name of (1E,3Z)-2-methoxy-5-methyl-1-nitrosohexa-1,3,5-triene (CID 126518289) is (1E,3Z)-2-methoxy-5-methyl-1-nitrosohexa-1,3,5-triene.
What is the SMILES notation for (1E,3Z)-2-methoxy-5-methyl-1-nitrosohexa-1,3,5-triene?
The canonical SMILES for (1E,3Z)-2-methoxy-5-methyl-1-nitrosohexa-1,3,5-triene is C=C(C)/C=C\C(=C/N=O)OC.
What is the InChIKey of (1E,3Z)-2-methoxy-5-methyl-1-nitrosohexa-1,3,5-triene?
The InChIKey is WTWOCSPDQZRZSI-GSGSLZOQSA-N. The full InChI is InChI=1S/C8H11NO2/c1-7(2)4-5-8(11-3)6-9-10/h4-6H,1H2,2-3H3/b5-4-,8-6+.
What are the key properties of (1E,3Z)-2-methoxy-5-methyl-1-nitrosohexa-1,3,5-triene?
(1E,3Z)-2-methoxy-5-methyl-1-nitrosohexa-1,3,5-triene has a molecular weight of 153.18 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-2-methoxy-5-methyl-1-nitrosohexa-1,3,5-triene is sourced from PubChem (CID 126518289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).