(6E)-4-methyl-4-nitrodeca-1,6-diene

C11H19NO2 — CID 102590751

IUPAC(6E)-4-methyl-4-nitrodeca-1,6-diene
SMILESC=CCC(C)(C/C=C/CCC)[N+](=O)[O-]
InChIInChI=1S/C11H19NO2/c1-4-6-7-8-10-11(3,9-5-2)12(13)14/h5,7-8H,2,4,6,9-10H2,1,3H3/b8-7+
InChIKeyOQPUBJVXIDBMLO-BQYQJAHWSA-N
MW197.28 g/mol
LogP3.34
Rot. Bonds7

About (6E)-4-methyl-4-nitrodeca-1,6-diene

(6E)-4-methyl-4-nitrodeca-1,6-diene (PubChem CID 102590751) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (6E)-4-methyl-4-nitrodeca-1,6-diene.

Molecular Properties

Compound Name(6E)-4-methyl-4-nitrodeca-1,6-diene
PubChem CID102590751
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(6E)-4-methyl-4-nitrodeca-1,6-diene
SMILESC=CCC(C)(C/C=C/CCC)[N+](=O)[O-]
InChIInChI=1S/C11H19NO2/c1-4-6-7-8-10-11(3,9-5-2)12(13)14/h5,7-8H,2,4,6,9-10H2,1,3H3/b8-7+
InChIKeyOQPUBJVXIDBMLO-BQYQJAHWSA-N
XLogP3.34
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.34
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'}

Analyze (6E)-4-methyl-4-nitrodeca-1,6-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pent-1-ene nitrate
CID 18787917
2,2-dimethyloct-4-enal
CID 557797
(5E)-nona-1,5-diene
CID 6429608
5-bromo-5-nitrohex-1-ene
CID 15049513
(5Z)-3-methylnona-1,5-diene
CID 145064168
2,2-dinitrodocosa-4,7,10,13,16-pentaenal
CID 173492286
1-iodo-9-methyl-9-nitrodeca-1,6-diene
CID 173421321
(4Z,8E)-dodeca-4,8-diene
CID 12576906
(4E,8E)-dodeca-4,8-diene
CID 12576905
ethane;(E)-oct-4-ene
CID 142055407
(E)-2,2-dimethylhept-3-ene
CID 5352650
(11E)-pentadeca-1,11-diene
CID 15206768

Frequently Asked Questions

What is the IUPAC name of (6E)-4-methyl-4-nitrodeca-1,6-diene?
The IUPAC name of (6E)-4-methyl-4-nitrodeca-1,6-diene (CID 102590751) is (6E)-4-methyl-4-nitrodeca-1,6-diene.
What is the SMILES notation for (6E)-4-methyl-4-nitrodeca-1,6-diene?
The canonical SMILES for (6E)-4-methyl-4-nitrodeca-1,6-diene is C=CCC(C)(C/C=C/CCC)[N+](=O)[O-].
What is the InChIKey of (6E)-4-methyl-4-nitrodeca-1,6-diene?
The InChIKey is OQPUBJVXIDBMLO-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-6-7-8-10-11(3,9-5-2)12(13)14/h5,7-8H,2,4,6,9-10H2,1,3H3/b8-7+.
What are the key properties of (6E)-4-methyl-4-nitrodeca-1,6-diene?
(6E)-4-methyl-4-nitrodeca-1,6-diene has a molecular weight of 197.28 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-4-methyl-4-nitrodeca-1,6-diene is sourced from PubChem (CID 102590751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).