undec-10-enyl nitrate

C11H21NO3 — CID 139910377

IUPACundec-10-enyl nitrate
SMILESC=CCCCCCCCCCO[N+](=O)[O-]
InChIInChI=1S/C11H21NO3/c1-2-3-4-5-6-7-8-9-10-11-15-12(13)14/h2H,1,3-11H2
InChIKeyKNJJLMUVONMAHM-UHFFFAOYSA-N
MW215.29 g/mol
LogP3.50
Rot. Bonds11

About undec-10-enyl nitrate

undec-10-enyl nitrate (PubChem CID 139910377) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is undec-10-enyl nitrate.

Molecular Properties

Compound Nameundec-10-enyl nitrate
PubChem CID139910377
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameundec-10-enyl nitrate
SMILESC=CCCCCCCCCCO[N+](=O)[O-]
InChIInChI=1S/C11H21NO3/c1-2-3-4-5-6-7-8-9-10-11-15-12(13)14/h2H,1,3-11H2
InChIKeyKNJJLMUVONMAHM-UHFFFAOYSA-N
XLogP3.50
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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

8-nitrooxyoctyl prop-2-enoate;hydrochloride
CID 141040606
8-hydroxyoctyl nitrate
CID 146450783
5-nitrooxypentyl formate
CID 142971744
phosphane;tetradecyl nitrate
CID 174825024
12-dodec-11-enoxydodec-1-ene
CID 87325659
bis(dec-9-enyl) (Z)-but-2-enedioate
CID 86753272
heptadeca-1,16-diene
CID 6429392
heptacosa-1,26-diene
CID 58905535
hex-5-enoxysilane
CID 123933799
hydroxylamine;prop-2-enyl nitrate
CID 173242040
7-(trioxidanyl)hept-1-ene
CID 90829366
methane;11-nitrooxyundecanoic acid
CID 173491746

Frequently Asked Questions

What is the IUPAC name of undec-10-enyl nitrate?
The IUPAC name of undec-10-enyl nitrate (CID 139910377) is undec-10-enyl nitrate.
What is the SMILES notation for undec-10-enyl nitrate?
The canonical SMILES for undec-10-enyl nitrate is C=CCCCCCCCCCO[N+](=O)[O-].
What is the InChIKey of undec-10-enyl nitrate?
The InChIKey is KNJJLMUVONMAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-3-4-5-6-7-8-9-10-11-15-12(13)14/h2H,1,3-11H2.
What are the key properties of undec-10-enyl nitrate?
undec-10-enyl nitrate has a molecular weight of 215.29 g/mol, XLogP of 3.50, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for undec-10-enyl nitrate is sourced from PubChem (CID 139910377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).