ditert-butyl carbonate;diethylamino(trihydroxy)phosphanium

C13H31NO6P+ — CID 159004388

IUPACditert-butyl carbonate;diethylamino(trihydroxy)phosphanium
SMILESCC(C)(C)OC(=O)OC(C)(C)C.CCN(CC)[P+](O)(O)O
InChIInChI=1S/C9H18O3.C4H13NO3P/c1-8(2,3)11-7(10)12-9(4,5)6;1-3-5(4-2)9(6,7)8/h1-6H3;6-8H,3-4H2,1-2H3/q;+1
InChIKeyRUIMIBBFTHNCQT-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.72
Rot. Bonds3

About ditert-butyl carbonate;diethylamino(trihydroxy)phosphanium

ditert-butyl carbonate;diethylamino(trihydroxy)phosphanium (PubChem CID 159004388) has the molecular formula C13H31NO6P+ and a molecular weight of 328.37 g/mol. Its IUPAC name is ditert-butyl carbonate;diethylamino(trihydroxy)phosphanium.

Molecular Properties

Compound Nameditert-butyl carbonate;diethylamino(trihydroxy)phosphanium
PubChem CID159004388
Molecular FormulaC13H31NO6P+
Molecular Weight328.37 g/mol
Exact Mass328.19
IUPAC Nameditert-butyl carbonate;diethylamino(trihydroxy)phosphanium
SMILESCC(C)(C)OC(=O)OC(C)(C)C.CCN(CC)[P+](O)(O)O
InChIInChI=1S/C9H18O3.C4H13NO3P/c1-8(2,3)11-7(10)12-9(4,5)6;1-3-5(4-2)9(6,7)8/h1-6H3;6-8H,3-4H2,1-2H3/q;+1
InChIKeyRUIMIBBFTHNCQT-UHFFFAOYSA-N
XLogP2.72
TPSA99.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl [ethyl(propan-2-yl)amino] carbonate
CID 123302380
tert-butyl carboxy carbonate;N,N-diethylethanamine
CID 158174670
tert-butyl pentan-3-yl carbonate
CID 88907075
tert-butyl (2-methylpropan-2-yl)oxymethyl carbonate
CID 138563877
tert-butyl 3-methylpentan-2-yl carbonate
CID 129191727
tert-butyl iodooxymethyl carbonate
CID 118480207
tert-butyl N-ethyl-N-(2-fluoropropyl)carbamate
CID 123629374
tert-butyl hydroxy carbonate
CID 19428429
bis(2-ethoxypropan-2-yl) carbonate
CID 87247770
tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl carbonate
CID 87663163
tert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 87174502
tert-butyl 2-[ethyl(propan-2-yl)amino]propanoate
CID 64689549

Frequently Asked Questions

What is the IUPAC name of ditert-butyl carbonate;diethylamino(trihydroxy)phosphanium?
The IUPAC name of ditert-butyl carbonate;diethylamino(trihydroxy)phosphanium (CID 159004388) is ditert-butyl carbonate;diethylamino(trihydroxy)phosphanium.
What is the SMILES notation for ditert-butyl carbonate;diethylamino(trihydroxy)phosphanium?
The canonical SMILES for ditert-butyl carbonate;diethylamino(trihydroxy)phosphanium is CC(C)(C)OC(=O)OC(C)(C)C.CCN(CC)[P+](O)(O)O.
What is the InChIKey of ditert-butyl carbonate;diethylamino(trihydroxy)phosphanium?
The InChIKey is RUIMIBBFTHNCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3.C4H13NO3P/c1-8(2,3)11-7(10)12-9(4,5)6;1-3-5(4-2)9(6,7)8/h1-6H3;6-8H,3-4H2,1-2H3/q;+1.
What are the key properties of ditert-butyl carbonate;diethylamino(trihydroxy)phosphanium?
ditert-butyl carbonate;diethylamino(trihydroxy)phosphanium has a molecular weight of 328.37 g/mol, XLogP of 2.72, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl carbonate;diethylamino(trihydroxy)phosphanium is sourced from PubChem (CID 159004388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).