(4Z,7Z)-2,6-dimethyl-10-nitrodeca-2,4,7-triene

C12H19NO2 — CID 142053613

IUPAC(4Z,7Z)-2,6-dimethyl-10-nitrodeca-2,4,7-triene
SMILESCC(C)=C/C=C\C(C)/C=C\CC[N+](=O)[O-]
InChIInChI=1S/C12H19NO2/c1-11(2)7-6-9-12(3)8-4-5-10-13(14)15/h4,6-9,12H,5,10H2,1-3H3/b8-4-,9-6-
InChIKeyHVSKURMEHPFKED-WMGNBJRUSA-N
MW209.29 g/mol
LogP3.37
Rot. Bonds6

About (4Z,7Z)-2,6-dimethyl-10-nitrodeca-2,4,7-triene

(4Z,7Z)-2,6-dimethyl-10-nitrodeca-2,4,7-triene (PubChem CID 142053613) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (4Z,7Z)-2,6-dimethyl-10-nitrodeca-2,4,7-triene.

Molecular Properties

Compound Name(4Z,7Z)-2,6-dimethyl-10-nitrodeca-2,4,7-triene
PubChem CID142053613
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(4Z,7Z)-2,6-dimethyl-10-nitrodeca-2,4,7-triene
SMILESCC(C)=C/C=C\C(C)/C=C\CC[N+](=O)[O-]
InChIInChI=1S/C12H19NO2/c1-11(2)7-6-9-12(3)8-4-5-10-13(14)15/h4,6-9,12H,5,10H2,1-3H3/b8-4-,9-6-
InChIKeyHVSKURMEHPFKED-WMGNBJRUSA-N
XLogP3.37
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z,7Z)-2,6-dimethyl-10-nitrodeca-2,4,7-triene?
The IUPAC name of (4Z,7Z)-2,6-dimethyl-10-nitrodeca-2,4,7-triene (CID 142053613) is (4Z,7Z)-2,6-dimethyl-10-nitrodeca-2,4,7-triene.
What is the SMILES notation for (4Z,7Z)-2,6-dimethyl-10-nitrodeca-2,4,7-triene?
The canonical SMILES for (4Z,7Z)-2,6-dimethyl-10-nitrodeca-2,4,7-triene is CC(C)=C/C=C\C(C)/C=C\CC[N+](=O)[O-].
What is the InChIKey of (4Z,7Z)-2,6-dimethyl-10-nitrodeca-2,4,7-triene?
The InChIKey is HVSKURMEHPFKED-WMGNBJRUSA-N. The full InChI is InChI=1S/C12H19NO2/c1-11(2)7-6-9-12(3)8-4-5-10-13(14)15/h4,6-9,12H,5,10H2,1-3H3/b8-4-,9-6-.
What are the key properties of (4Z,7Z)-2,6-dimethyl-10-nitrodeca-2,4,7-triene?
(4Z,7Z)-2,6-dimethyl-10-nitrodeca-2,4,7-triene has a molecular weight of 209.29 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z)-2,6-dimethyl-10-nitrodeca-2,4,7-triene is sourced from PubChem (CID 142053613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).