di(heptan-2-yloxy)-oxoazanium

C14H30NO3+ — CID 57155289

IUPACdi(heptan-2-yloxy)-oxoazanium
SMILESCCCCCC(C)O[N+](=O)OC(C)CCCCC
InChIInChI=1S/C14H30NO3/c1-5-7-9-11-13(3)17-15(16)18-14(4)12-10-8-6-2/h13-14H,5-12H2,1-4H3/q+1
InChIKeySZNHLFXWJKTWRK-UHFFFAOYSA-N
MW260.40 g/mol
LogP4.57
Rot. Bonds12

About di(heptan-2-yloxy)-oxoazanium

di(heptan-2-yloxy)-oxoazanium (PubChem CID 57155289) has the molecular formula C14H30NO3+ and a molecular weight of 260.40 g/mol. Its IUPAC name is di(heptan-2-yloxy)-oxoazanium.

Molecular Properties

Compound Namedi(heptan-2-yloxy)-oxoazanium
PubChem CID57155289
Molecular FormulaC14H30NO3+
Molecular Weight260.40 g/mol
Exact Mass260.22
IUPAC Namedi(heptan-2-yloxy)-oxoazanium
SMILESCCCCCC(C)O[N+](=O)OC(C)CCCCC
InChIInChI=1S/C14H30NO3/c1-5-7-9-11-13(3)17-15(16)18-14(4)12-10-8-6-2/h13-14H,5-12H2,1-4H3/q+1
InChIKeySZNHLFXWJKTWRK-UHFFFAOYSA-N
XLogP4.57
TPSA38.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

di(octan-2-yloxy)-oxoazanium
CID 57229346
2-nitrosulfonyloxyoctane
CID 174611671
decan-2-yl 2-hydroxypropanoate
CID 118918104
O-hexadecan-2-ylhydroxylamine
CID 18799052
tetradecan-2-yloxysilane
CID 173015270
2-ethoxytridecane
CID 54143367
undecan-6-yl nitrate
CID 91750842
triethyl(tetradecan-2-yloxy)silane
CID 568550
heptan-2-yl ethanesulfonate
CID 89439773
1,2-dihydroxyundecan-3-yl nitrate
CID 15167145
10,16-dimethyldotriacontane
CID 91748795
(7R)-7-methyltricosane
CID 162971691

Frequently Asked Questions

What is the IUPAC name of di(heptan-2-yloxy)-oxoazanium?
The IUPAC name of di(heptan-2-yloxy)-oxoazanium (CID 57155289) is di(heptan-2-yloxy)-oxoazanium.
What is the SMILES notation for di(heptan-2-yloxy)-oxoazanium?
The canonical SMILES for di(heptan-2-yloxy)-oxoazanium is CCCCCC(C)O[N+](=O)OC(C)CCCCC.
What is the InChIKey of di(heptan-2-yloxy)-oxoazanium?
The InChIKey is SZNHLFXWJKTWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30NO3/c1-5-7-9-11-13(3)17-15(16)18-14(4)12-10-8-6-2/h13-14H,5-12H2,1-4H3/q+1.
What are the key properties of di(heptan-2-yloxy)-oxoazanium?
di(heptan-2-yloxy)-oxoazanium has a molecular weight of 260.40 g/mol, XLogP of 4.57, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for di(heptan-2-yloxy)-oxoazanium is sourced from PubChem (CID 57155289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).