(Z)-2,5-dimethyl-3-nitrohex-3-ene

C8H15NO2 — CID 115347716

IUPAC(Z)-2,5-dimethyl-3-nitrohex-3-ene
SMILESCC(C)/C=C(/C(C)C)[N+](=O)[O-]
InChIInChI=1S/C8H15NO2/c1-6(2)5-8(7(3)4)9(10)11/h5-7H,1-4H3/b8-5-
InChIKeyFWVOWFKGBMHZFS-YVMONPNESA-N
MW157.21 g/mol
LogP2.46
Rot. Bonds3

About (Z)-2,5-dimethyl-3-nitrohex-3-ene

(Z)-2,5-dimethyl-3-nitrohex-3-ene (PubChem CID 115347716) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (Z)-2,5-dimethyl-3-nitrohex-3-ene.

Molecular Properties

Compound Name(Z)-2,5-dimethyl-3-nitrohex-3-ene
PubChem CID115347716
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(Z)-2,5-dimethyl-3-nitrohex-3-ene
SMILESCC(C)/C=C(/C(C)C)[N+](=O)[O-]
InChIInChI=1S/C8H15NO2/c1-6(2)5-8(7(3)4)9(10)11/h5-7H,1-4H3/b8-5-
InChIKeyFWVOWFKGBMHZFS-YVMONPNESA-N
XLogP2.46
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 52.46
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

(3-methyl-2-nitrobut-1-enyl)cycloheptane
CID 115347820
1,3-dimethyl-5-[(Z)-3-methyl-2-nitrobut-1-enyl]benzene
CID 115347611
1-methyl-2-[(Z)-3-methyl-2-nitrobut-1-enyl]benzene
CID 115347758
2,4-dimethyl-3-(nitromethylidene)pentane
CID 59382813
2-methyl-5-[(Z)-3-methyl-2-nitrobut-1-enyl]furan
CID 115347684
2,4-dichloro-5-(3-methyl-2-nitrobut-1-enyl)-1,3-thiazole
CID 115347639
magnesium;propan-2-ol;dinitrate
CID 172773063
1-methyl-4-(3-methyl-2-nitrobut-1-enyl)pyrazole
CID 115347637
2,3-dibromo-5-(3-methyl-2-nitrobut-1-enyl)thiophene
CID 102843694
2-methyl-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine
CID 104823182
3-(3-methyl-2-nitrobut-1-enyl)oxane
CID 115347625
(E,2R,5R)-5-nitrohex-3-en-2-ol
CID 10558746

Frequently Asked Questions

What is the IUPAC name of (Z)-2,5-dimethyl-3-nitrohex-3-ene?
The IUPAC name of (Z)-2,5-dimethyl-3-nitrohex-3-ene (CID 115347716) is (Z)-2,5-dimethyl-3-nitrohex-3-ene.
What is the SMILES notation for (Z)-2,5-dimethyl-3-nitrohex-3-ene?
The canonical SMILES for (Z)-2,5-dimethyl-3-nitrohex-3-ene is CC(C)/C=C(/C(C)C)[N+](=O)[O-].
What is the InChIKey of (Z)-2,5-dimethyl-3-nitrohex-3-ene?
The InChIKey is FWVOWFKGBMHZFS-YVMONPNESA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)5-8(7(3)4)9(10)11/h5-7H,1-4H3/b8-5-.
What are the key properties of (Z)-2,5-dimethyl-3-nitrohex-3-ene?
(Z)-2,5-dimethyl-3-nitrohex-3-ene has a molecular weight of 157.21 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,5-dimethyl-3-nitrohex-3-ene is sourced from PubChem (CID 115347716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).