potassium;bis[(2-methylpropan-2-yl)oxycarbonyl]azanide;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C20H37KN2O8 — CID 162072949

IUPACpotassium;bis[(2-methylpropan-2-yl)oxycarbonyl]azanide;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)NC(=O)OC(C)(C)C.CC(C)(C)OC(=O)[N-]C(=O)OC(C)(C)C.[K+]
InChIInChI=1S/2C10H19NO4.K/c2*1-9(2,3)14-7(12)11-8(13)15-10(4,5)6;/h2*1-6H3,(H,11,12,13);/q;;+1/p-1
InChIKeyPDRZMXUSTYMJRM-UHFFFAOYSA-M
MW472.62 g/mol
LogP2.68
Rot. Bonds

About potassium;bis[(2-methylpropan-2-yl)oxycarbonyl]azanide;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

potassium;bis[(2-methylpropan-2-yl)oxycarbonyl]azanide;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 162072949) has the molecular formula C20H37KN2O8 and a molecular weight of 472.62 g/mol. Its IUPAC name is potassium;bis[(2-methylpropan-2-yl)oxycarbonyl]azanide;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Namepotassium;bis[(2-methylpropan-2-yl)oxycarbonyl]azanide;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID162072949
Molecular FormulaC20H37KN2O8
Molecular Weight472.62 g/mol
Exact Mass472.22
IUPAC Namepotassium;bis[(2-methylpropan-2-yl)oxycarbonyl]azanide;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)NC(=O)OC(C)(C)C.CC(C)(C)OC(=O)[N-]C(=O)OC(C)(C)C.[K+]
InChIInChI=1S/2C10H19NO4.K/c2*1-9(2,3)14-7(12)11-8(13)15-10(4,5)6;/h2*1-6H3,(H,11,12,13);/q;;+1/p-1
InChIKeyPDRZMXUSTYMJRM-UHFFFAOYSA-M
XLogP2.68
TPSA131.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.62
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

(2-methylpropan-2-yl)oxycarbonylcarbamic acid
CID 15431621
tert-butyl N-ethanethioylcarbamate
CID 20745944
[[(2-methylpropan-2-yl)oxycarbonylamino]-methylsulfanylmethylidene]azanium
CID 172808399
tert-butyl N-(2-bromoacetyl)carbamate
CID 46224013
tert-butyl N-prop-2-enoylcarbamate
CID 14817908
tert-butyl N-methylcarbamate;ethane
CID 142957488
tert-butyl N-bromocarbamate
CID 19029934
tert-butyl N-propanoylcarbamate;molecular fluorine
CID 90778039
tert-butyl N-ethoxycarbothioylcarbamate
CID 130015339
tert-butyl N-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]carbamate
CID 142024551
tert-butyl N-(4-methylpenta-1,3-dien-2-yl)carbamate
CID 90352815
tert-butyl 2-imino-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 141015215

Frequently Asked Questions

What is the IUPAC name of potassium;bis[(2-methylpropan-2-yl)oxycarbonyl]azanide;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of potassium;bis[(2-methylpropan-2-yl)oxycarbonyl]azanide;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 162072949) is potassium;bis[(2-methylpropan-2-yl)oxycarbonyl]azanide;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for potassium;bis[(2-methylpropan-2-yl)oxycarbonyl]azanide;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for potassium;bis[(2-methylpropan-2-yl)oxycarbonyl]azanide;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CC(C)(C)OC(=O)NC(=O)OC(C)(C)C.CC(C)(C)OC(=O)[N-]C(=O)OC(C)(C)C.[K+].
What is the InChIKey of potassium;bis[(2-methylpropan-2-yl)oxycarbonyl]azanide;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is PDRZMXUSTYMJRM-UHFFFAOYSA-M. The full InChI is InChI=1S/2C10H19NO4.K/c2*1-9(2,3)14-7(12)11-8(13)15-10(4,5)6;/h2*1-6H3,(H,11,12,13);/q;;+1/p-1.
What are the key properties of potassium;bis[(2-methylpropan-2-yl)oxycarbonyl]azanide;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
potassium;bis[(2-methylpropan-2-yl)oxycarbonyl]azanide;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 472.62 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;bis[(2-methylpropan-2-yl)oxycarbonyl]azanide;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 162072949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).