2,6-dimethyl-4-nitrooct-4-ene

C10H19NO2 — CID 76948867

IUPAC2,6-dimethyl-4-nitrooct-4-ene
SMILESCCC(C)C=C(CC(C)C)[N+](=O)[O-]
InChIInChI=1S/C10H19NO2/c1-5-9(4)7-10(11(12)13)6-8(2)3/h7-9H,5-6H2,1-4H3
InChIKeyHPJFHHWGNJGRIY-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.24
Rot. Bonds5

About 2,6-dimethyl-4-nitrooct-4-ene

2,6-dimethyl-4-nitrooct-4-ene (PubChem CID 76948867) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2,6-dimethyl-4-nitrooct-4-ene.

Molecular Properties

Compound Name2,6-dimethyl-4-nitrooct-4-ene
PubChem CID76948867
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2,6-dimethyl-4-nitrooct-4-ene
SMILESCCC(C)C=C(CC(C)C)[N+](=O)[O-]
InChIInChI=1S/C10H19NO2/c1-5-9(4)7-10(11(12)13)6-8(2)3/h7-9H,5-6H2,1-4H3
InChIKeyHPJFHHWGNJGRIY-UHFFFAOYSA-N
XLogP3.24
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-5-methyl-3-nitro-1-phenylsulfanylhept-3-enyl] carbonochloridate
CID 129163756
(4-methyl-2-nitropent-1-enyl)cyclopentane
CID 76948794
2-methylbutane;nitric acid
CID 158412732
1,3-dimethyl-5-[(E)-4-methyl-2-nitropent-1-enyl]benzene
CID 55111850
2,4-dimethyl-1-(4-methyl-2-nitropent-1-enyl)benzene
CID 76948829
2,5-dimethyl-3-(4-methyl-2-nitropent-1-enyl)thiophene
CID 76949322
(E)-4-nitrohex-4-en-2-ol
CID 6433080
2-ethyl-5-(4-methyl-2-nitropent-1-enyl)furan
CID 76948866
1-(4-methyl-2-nitropent-1-enyl)-2-propan-2-yloxybenzene
CID 76949363
1-butoxy-4-(4-methyl-2-nitropent-1-enyl)benzene
CID 76996277
1-methyl-3-(4-methyl-2-nitropent-1-enyl)pyrrole
CID 77136050
1,3-dibromo-2-ethoxy-5-(4-methyl-2-nitropent-1-enyl)benzene
CID 76996040

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-nitrooct-4-ene?
The IUPAC name of 2,6-dimethyl-4-nitrooct-4-ene (CID 76948867) is 2,6-dimethyl-4-nitrooct-4-ene.
What is the SMILES notation for 2,6-dimethyl-4-nitrooct-4-ene?
The canonical SMILES for 2,6-dimethyl-4-nitrooct-4-ene is CCC(C)C=C(CC(C)C)[N+](=O)[O-].
What is the InChIKey of 2,6-dimethyl-4-nitrooct-4-ene?
The InChIKey is HPJFHHWGNJGRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-9(4)7-10(11(12)13)6-8(2)3/h7-9H,5-6H2,1-4H3.
What are the key properties of 2,6-dimethyl-4-nitrooct-4-ene?
2,6-dimethyl-4-nitrooct-4-ene has a molecular weight of 185.27 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-nitrooct-4-ene is sourced from PubChem (CID 76948867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).