diazanium;ethene;bis(propan-2-yl carbonate)

C14H34N2O6 — CID 158304225

IUPACdiazanium;ethene;bis(propan-2-yl carbonate)
SMILESC=C.C=C.C=C.CC(C)OC(=O)[O-].CC(C)OC(=O)[O-].[NH4+].[NH4+]
InChIInChI=1S/2C4H8O3.3C2H4.2H3N/c2*1-3(2)7-4(5)6;3*1-2;;/h2*3H,1-2H3,(H,5,6);3*1-2H2;2*1H3
InChIKeyAFPYZZLQHPKWQP-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.67
Rot. Bonds2

About diazanium;ethene;bis(propan-2-yl carbonate)

diazanium;ethene;bis(propan-2-yl carbonate) (PubChem CID 158304225) has the molecular formula C14H34N2O6 and a molecular weight of 326.43 g/mol. Its IUPAC name is diazanium;ethene;bis(propan-2-yl carbonate).

Molecular Properties

Compound Namediazanium;ethene;bis(propan-2-yl carbonate)
PubChem CID158304225
Molecular FormulaC14H34N2O6
Molecular Weight326.43 g/mol
Exact Mass326.24
IUPAC Namediazanium;ethene;bis(propan-2-yl carbonate)
SMILESC=C.C=C.C=C.CC(C)OC(=O)[O-].CC(C)OC(=O)[O-].[NH4+].[NH4+]
InChIInChI=1S/2C4H8O3.3C2H4.2H3N/c2*1-3(2)7-4(5)6;3*1-2;;/h2*3H,1-2H3,(H,5,6);3*1-2H2;2*1H3
InChIKeyAFPYZZLQHPKWQP-UHFFFAOYSA-N
XLogP2.67
TPSA171.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;ethene;propan-2-yl hydrogen carbonate
CID 175300658
propan-2-yl carbonate;tributyl(methyl)azanium
CID 137355880
propan-2-yl carbonobromidate
CID 54038908
propan-2-yl 2-methylprop-2-enoate
CID 146421311
propan-2-yl 2-silylprop-2-enoate
CID 173200883
propan-2-yl carbonochloridate
CID 7917
propan-2-yl acetate;hydrochloride
CID 87336432
propan-2-yl 3-chloro-2-oxopropanoate
CID 45120097
dipropan-2-yl 4-methyl-2,6-dioxoheptanedioate
CID 90416995
sodium (1,1,1-tribromo-3-methylbutan-2-yl) carbonate
CID 88732733
propan-2-yl (2S)-2-aminopropanoate
CID 13089460
CID 50923065
CID 50923065

Frequently Asked Questions

What is the IUPAC name of diazanium;ethene;bis(propan-2-yl carbonate)?
The IUPAC name of diazanium;ethene;bis(propan-2-yl carbonate) (CID 158304225) is diazanium;ethene;bis(propan-2-yl carbonate).
What is the SMILES notation for diazanium;ethene;bis(propan-2-yl carbonate)?
The canonical SMILES for diazanium;ethene;bis(propan-2-yl carbonate) is C=C.C=C.C=C.CC(C)OC(=O)[O-].CC(C)OC(=O)[O-].[NH4+].[NH4+].
What is the InChIKey of diazanium;ethene;bis(propan-2-yl carbonate)?
The InChIKey is AFPYZZLQHPKWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H8O3.3C2H4.2H3N/c2*1-3(2)7-4(5)6;3*1-2;;/h2*3H,1-2H3,(H,5,6);3*1-2H2;2*1H3.
What are the key properties of diazanium;ethene;bis(propan-2-yl carbonate)?
diazanium;ethene;bis(propan-2-yl carbonate) has a molecular weight of 326.43 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;ethene;bis(propan-2-yl carbonate) is sourced from PubChem (CID 158304225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).