2-(3-carbamoyloxy-3-methylbutoxy)propan-2-yloxy-hydroxy-oxophosphanium

C9H19NO6P+ — CID 90261772

IUPAC2-(3-carbamoyloxy-3-methylbutoxy)propan-2-yloxy-hydroxy-oxophosphanium
SMILESCC(C)(CCOC(C)(C)O[P+](=O)O)OC(N)=O
InChIInChI=1S/C9H18NO6P/c1-8(2,15-7(10)11)5-6-14-9(3,4)16-17(12)13/h5-6H2,1-4H3,(H2-,10,11,12,13)/p+1
InChIKeyWGXHHMYJWNVOLY-UHFFFAOYSA-O
MW268.23 g/mol
LogP1.67
Rot. Bonds7

About 2-(3-carbamoyloxy-3-methylbutoxy)propan-2-yloxy-hydroxy-oxophosphanium

2-(3-carbamoyloxy-3-methylbutoxy)propan-2-yloxy-hydroxy-oxophosphanium (PubChem CID 90261772) has the molecular formula C9H19NO6P+ and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-(3-carbamoyloxy-3-methylbutoxy)propan-2-yloxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name2-(3-carbamoyloxy-3-methylbutoxy)propan-2-yloxy-hydroxy-oxophosphanium
PubChem CID90261772
Molecular FormulaC9H19NO6P+
Molecular Weight268.23 g/mol
Exact Mass268.09
IUPAC Name2-(3-carbamoyloxy-3-methylbutoxy)propan-2-yloxy-hydroxy-oxophosphanium
SMILESCC(C)(CCOC(C)(C)O[P+](=O)O)OC(N)=O
InChIInChI=1S/C9H18NO6P/c1-8(2,15-7(10)11)5-6-14-9(3,4)16-17(12)13/h5-6H2,1-4H3,(H2-,10,11,12,13)/p+1
InChIKeyWGXHHMYJWNVOLY-UHFFFAOYSA-O
XLogP1.67
TPSA108.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-(3-carbamoyloxy-3-methylpentoxy)butan-2-yloxy-hydroxy-oxophosphanium
CID 122691983
2-ethoxypropan-2-yloxy-hydroxy-oxophosphanium
CID 121257772
(5-fluoro-2-methylpentan-2-yl) carbamate
CID 150885569
(6-amino-2,6-dimethylheptan-2-yl) carbamate;hydrochloride
CID 162340751
[(5S)-5-amino-2-methylhexan-2-yl] carbamate
CID 174841923
[(5S)-5-hydroxy-2-methylhexan-2-yl] carbamate
CID 121226929
[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] hydrogen carbonate
CID 88896989
2-pentoxypropan-2-yl carbamate
CID 174974259
2,5-dimethylheptan-2-yl carbamate
CID 123535810
[1-(2-hydroxyethoxy)-2-methylpropan-2-yl] carbamate
CID 87715215
(6-chloro-5-hydroxy-2-methylhexan-2-yl) carbamate
CID 174876825
(2-methyl-1-nitrosopropan-2-yl) carbamate
CID 118038589

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbamoyloxy-3-methylbutoxy)propan-2-yloxy-hydroxy-oxophosphanium?
The IUPAC name of 2-(3-carbamoyloxy-3-methylbutoxy)propan-2-yloxy-hydroxy-oxophosphanium (CID 90261772) is 2-(3-carbamoyloxy-3-methylbutoxy)propan-2-yloxy-hydroxy-oxophosphanium.
What is the SMILES notation for 2-(3-carbamoyloxy-3-methylbutoxy)propan-2-yloxy-hydroxy-oxophosphanium?
The canonical SMILES for 2-(3-carbamoyloxy-3-methylbutoxy)propan-2-yloxy-hydroxy-oxophosphanium is CC(C)(CCOC(C)(C)O[P+](=O)O)OC(N)=O.
What is the InChIKey of 2-(3-carbamoyloxy-3-methylbutoxy)propan-2-yloxy-hydroxy-oxophosphanium?
The InChIKey is WGXHHMYJWNVOLY-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H18NO6P/c1-8(2,15-7(10)11)5-6-14-9(3,4)16-17(12)13/h5-6H2,1-4H3,(H2-,10,11,12,13)/p+1.
What are the key properties of 2-(3-carbamoyloxy-3-methylbutoxy)propan-2-yloxy-hydroxy-oxophosphanium?
2-(3-carbamoyloxy-3-methylbutoxy)propan-2-yloxy-hydroxy-oxophosphanium has a molecular weight of 268.23 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbamoyloxy-3-methylbutoxy)propan-2-yloxy-hydroxy-oxophosphanium is sourced from PubChem (CID 90261772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).