6-nitroundec-5-ene

C11H21NO2 — CID 543366

IUPAC6-nitroundec-5-ene
SMILESCCCCC=C(CCCCC)[N+](=O)[O-]
InChIInChI=1S/C11H21NO2/c1-3-5-7-9-11(12(13)14)10-8-6-4-2/h9H,3-8,10H2,1-2H3
InChIKeyUOOQMRALLOBXAB-UHFFFAOYSA-N
MW199.29 g/mol
LogP3.92
Rot. Bonds8

About 6-nitroundec-5-ene

6-nitroundec-5-ene (PubChem CID 543366) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 6-nitroundec-5-ene.

Molecular Properties

Compound Name6-nitroundec-5-ene
PubChem CID543366
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name6-nitroundec-5-ene
SMILESCCCCC=C(CCCCC)[N+](=O)[O-]
InChIInChI=1S/C11H21NO2/c1-3-5-7-9-11(12(13)14)10-8-6-4-2/h9H,3-8,10H2,1-2H3
InChIKeyUOOQMRALLOBXAB-UHFFFAOYSA-N
XLogP3.92
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-10-nitroicos-9-enal
CID 89267084
10-nitrohexadec-9-enoic acid
CID 74955183
8-nitropentadec-8-enoic acid
CID 123226831
(E)-8-nitrooctadec-8-enoic acid
CID 132533017
(E)-10-nitrooctadec-9-enoate
CID 170987938
(9E,12E)-10,13-dinitrooctadeca-9,12-dienal
CID 173492327
2-nitrooct-1-en-1-ol
CID 88545511
(9E,12E)-9-nitrooctadeca-9,12-dienal
CID 173492035
(E)-7-nitrodec-7-en-1-ol
CID 6433081
2,3-dimethoxy-5-methyl-6-[(E)-8-nitroheptadec-8-enyl]cyclohexa-2,5-diene-1,4-dione
CID 167227129
(6E,9Z,12Z)-10,13-dinitrooctadeca-6,9,12-trienal
CID 173492247
(E)-2-nitrohex-1-en-1-amine
CID 163564663

Frequently Asked Questions

What is the IUPAC name of 6-nitroundec-5-ene?
The IUPAC name of 6-nitroundec-5-ene (CID 543366) is 6-nitroundec-5-ene.
What is the SMILES notation for 6-nitroundec-5-ene?
The canonical SMILES for 6-nitroundec-5-ene is CCCCC=C(CCCCC)[N+](=O)[O-].
What is the InChIKey of 6-nitroundec-5-ene?
The InChIKey is UOOQMRALLOBXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-5-7-9-11(12(13)14)10-8-6-4-2/h9H,3-8,10H2,1-2H3.
What are the key properties of 6-nitroundec-5-ene?
6-nitroundec-5-ene has a molecular weight of 199.29 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitroundec-5-ene is sourced from PubChem (CID 543366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).