azidomethane;ethyl 2,2-dimethylpropanoate;phosphane

C8H20N3O2P — CID 161474918

IUPACazidomethane;ethyl 2,2-dimethylpropanoate;phosphane
SMILESCCOC(=O)C(C)(C)C.CN=[N+]=[N-].P
InChIInChI=1S/C7H14O2.CH3N3.H3P/c1-5-9-6(8)7(2,3)4;1-3-4-2;/h5H2,1-4H3;1H3;1H3
InChIKeyWDOWXDVDUXBTHV-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.58
Rot. Bonds1

About azidomethane;ethyl 2,2-dimethylpropanoate;phosphane

azidomethane;ethyl 2,2-dimethylpropanoate;phosphane (PubChem CID 161474918) has the molecular formula C8H20N3O2P and a molecular weight of 221.24 g/mol. Its IUPAC name is azidomethane;ethyl 2,2-dimethylpropanoate;phosphane.

Molecular Properties

Compound Nameazidomethane;ethyl 2,2-dimethylpropanoate;phosphane
PubChem CID161474918
Molecular FormulaC8H20N3O2P
Molecular Weight221.24 g/mol
Exact Mass221.13
IUPAC Nameazidomethane;ethyl 2,2-dimethylpropanoate;phosphane
SMILESCCOC(=O)C(C)(C)C.CN=[N+]=[N-].P
InChIInChI=1S/C7H14O2.CH3N3.H3P/c1-5-9-6(8)7(2,3)4;1-3-4-2;/h5H2,1-4H3;1H3;1H3
InChIKeyWDOWXDVDUXBTHV-UHFFFAOYSA-N
XLogP2.58
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
(3-ethoxy-2-hydroxy-2-methyl-3-oxopropyl) 2,2-dimethylpropanoate
CID 58354404
diethyl 2-(2,2-dimethylpropanoyloxymethyl)-2-ethylpropanedioate
CID 88990098
ethyl 2,2-dimethylpropanoate;2-oxopropanoic acid
CID 157432719
ethyl 3-azido-2-hydroxy-2-methylpropanoate
CID 86095918
ethyl 4-azido-2,2-dimethylbutanoate
CID 150968965
(2-hydroxy-2-methylpropyl) 2,2-dimethylpropanoate
CID 10583373
ethoxycarbonyloxymethyl 2,2-dimethylpropanoate
CID 153463655
ethyl 4-azido-2-methyl-2-methylsulfonylbutanoate
CID 150773857
carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate
CID 175568582
ethyl 4-azido-3,3-bis(azidomethyl)butanoate
CID 132548647
ethane;ethyl 2-bromo-2-methylpropanoate
CID 142239978

Frequently Asked Questions

What is the IUPAC name of azidomethane;ethyl 2,2-dimethylpropanoate;phosphane?
The IUPAC name of azidomethane;ethyl 2,2-dimethylpropanoate;phosphane (CID 161474918) is azidomethane;ethyl 2,2-dimethylpropanoate;phosphane.
What is the SMILES notation for azidomethane;ethyl 2,2-dimethylpropanoate;phosphane?
The canonical SMILES for azidomethane;ethyl 2,2-dimethylpropanoate;phosphane is CCOC(=O)C(C)(C)C.CN=[N+]=[N-].P.
What is the InChIKey of azidomethane;ethyl 2,2-dimethylpropanoate;phosphane?
The InChIKey is WDOWXDVDUXBTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2.CH3N3.H3P/c1-5-9-6(8)7(2,3)4;1-3-4-2;/h5H2,1-4H3;1H3;1H3.
What are the key properties of azidomethane;ethyl 2,2-dimethylpropanoate;phosphane?
azidomethane;ethyl 2,2-dimethylpropanoate;phosphane has a molecular weight of 221.24 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azidomethane;ethyl 2,2-dimethylpropanoate;phosphane is sourced from PubChem (CID 161474918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).