(E)-dodecylidene(oxo)azanium

C12H24NO+ — CID 42627314

IUPAC(E)-dodecylidene(oxo)azanium
SMILESCCCCCCCCCCCC=[N+]=O
InChIInChI=1S/C12H24NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h12H,2-11H2,1H3/q+1
InChIKeyPEBDXUBXRVZZOJ-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.81
Rot. Bonds10

About (E)-dodecylidene(oxo)azanium

(E)-dodecylidene(oxo)azanium (PubChem CID 42627314) has the molecular formula C12H24NO+ and a molecular weight of 198.33 g/mol. Its IUPAC name is (E)-dodecylidene(oxo)azanium.

Molecular Properties

Compound Name(E)-dodecylidene(oxo)azanium
PubChem CID42627314
Molecular FormulaC12H24NO+
Molecular Weight198.33 g/mol
Exact Mass198.19
IUPAC Name(E)-dodecylidene(oxo)azanium
SMILESCCCCCCCCCCCC=[N+]=O
InChIInChI=1S/C12H24NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h12H,2-11H2,1H3/q+1
InChIKeyPEBDXUBXRVZZOJ-UHFFFAOYSA-N
XLogP3.81
TPSA31.17 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

decanal;decane
CID 157361056
disodium;hydride;(Z)-octadec-9-ene
CID 173005527
nonacos-6-ene
CID 25200821
(Z)-docos-9-ene
CID 11690102
(E)-hexadec-6-ene
CID 5352260
(E)-nonacos-10-ene
CID 14367300
(E)-hexacos-10-ene
CID 22172169
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(Z)-heptacos-11-ene
CID 56936074
tetratriacont-8-ene
CID 123670593

Frequently Asked Questions

What is the IUPAC name of (E)-dodecylidene(oxo)azanium?
The IUPAC name of (E)-dodecylidene(oxo)azanium (CID 42627314) is (E)-dodecylidene(oxo)azanium.
What is the SMILES notation for (E)-dodecylidene(oxo)azanium?
The canonical SMILES for (E)-dodecylidene(oxo)azanium is CCCCCCCCCCCC=[N+]=O.
What is the InChIKey of (E)-dodecylidene(oxo)azanium?
The InChIKey is PEBDXUBXRVZZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h12H,2-11H2,1H3/q+1.
What are the key properties of (E)-dodecylidene(oxo)azanium?
(E)-dodecylidene(oxo)azanium has a molecular weight of 198.33 g/mol, XLogP of 3.81, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-dodecylidene(oxo)azanium is sourced from PubChem (CID 42627314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).