2-[hydroxy(propan-2-yloxy)phosphoryl]oxyethyl-dimethyl-propan-2-ylazanium

C10H25NO4P+ — CID 155766204

IUPAC2-[hydroxy(propan-2-yloxy)phosphoryl]oxyethyl-dimethyl-propan-2-ylazanium
SMILESCC(C)OP(=O)(O)OCC[N+](C)(C)C(C)C
InChIInChI=1S/C10H24NO4P/c1-9(2)11(5,6)7-8-14-16(12,13)15-10(3)4/h9-10H,7-8H2,1-6H3/p+1
InChIKeyPWDHQAWVUNVLNW-UHFFFAOYSA-O
MW254.29 g/mol
LogP2.01
Rot. Bonds7

About 2-[hydroxy(propan-2-yloxy)phosphoryl]oxyethyl-dimethyl-propan-2-ylazanium

2-[hydroxy(propan-2-yloxy)phosphoryl]oxyethyl-dimethyl-propan-2-ylazanium (PubChem CID 155766204) has the molecular formula C10H25NO4P+ and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[hydroxy(propan-2-yloxy)phosphoryl]oxyethyl-dimethyl-propan-2-ylazanium.

Molecular Properties

Compound Name2-[hydroxy(propan-2-yloxy)phosphoryl]oxyethyl-dimethyl-propan-2-ylazanium
PubChem CID155766204
Molecular FormulaC10H25NO4P+
Molecular Weight254.29 g/mol
Exact Mass254.15
IUPAC Name2-[hydroxy(propan-2-yloxy)phosphoryl]oxyethyl-dimethyl-propan-2-ylazanium
SMILESCC(C)OP(=O)(O)OCC[N+](C)(C)C(C)C
InChIInChI=1S/C10H24NO4P/c1-9(2)11(5,6)7-8-14-16(12,13)15-10(3)4/h9-10H,7-8H2,1-6H3/p+1
InChIKeyPWDHQAWVUNVLNW-UHFFFAOYSA-O
XLogP2.01
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-[dimethyl(propan-2-yl)azaniumyl]ethyl propan-2-yl phosphate
CID 155766203
2-[hydroxy(octadecoxy)phosphoryl]oxyethyl-dimethyl-propan-2-ylazanium
CID 164941050
propan-2-yl 2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl hydrogen phosphate
CID 168833294
2-[1,2-dihydroxypropoxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium
CID 54074824
2-[dimethyl(propan-2-yl)azaniumyl]ethyl methyl phosphate
CID 153309185
propan-2-yl 9-propan-2-yloxynonyl hydrogen phosphate
CID 90328876
(4-methoxy-3-methylbutyl) propan-2-yl hydrogen phosphate
CID 129147562
6-[hexadecoxy(hydroxy)phosphoryl]oxyhexyl propan-2-yl hydrogen phosphate
CID 153443822
2-[2-(2-methylpropanoylamino)ethoxy]ethyl propan-2-yl hydrogen phosphate
CID 176600894
fluoro propan-2-yl hydrogen phosphate
CID 22590861
2-[hydroxy-[(2S)-1-hydroxy-3-prop-2-enoxypropan-2-yl]oxyphosphoryl]oxyethyl-trimethylazanium
CID 87400762
propan-2-yl 2,2,2-trifluoroethyl hydrogen phosphate
CID 10059393

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(propan-2-yloxy)phosphoryl]oxyethyl-dimethyl-propan-2-ylazanium?
The IUPAC name of 2-[hydroxy(propan-2-yloxy)phosphoryl]oxyethyl-dimethyl-propan-2-ylazanium (CID 155766204) is 2-[hydroxy(propan-2-yloxy)phosphoryl]oxyethyl-dimethyl-propan-2-ylazanium.
What is the SMILES notation for 2-[hydroxy(propan-2-yloxy)phosphoryl]oxyethyl-dimethyl-propan-2-ylazanium?
The canonical SMILES for 2-[hydroxy(propan-2-yloxy)phosphoryl]oxyethyl-dimethyl-propan-2-ylazanium is CC(C)OP(=O)(O)OCC[N+](C)(C)C(C)C.
What is the InChIKey of 2-[hydroxy(propan-2-yloxy)phosphoryl]oxyethyl-dimethyl-propan-2-ylazanium?
The InChIKey is PWDHQAWVUNVLNW-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H24NO4P/c1-9(2)11(5,6)7-8-14-16(12,13)15-10(3)4/h9-10H,7-8H2,1-6H3/p+1.
What are the key properties of 2-[hydroxy(propan-2-yloxy)phosphoryl]oxyethyl-dimethyl-propan-2-ylazanium?
2-[hydroxy(propan-2-yloxy)phosphoryl]oxyethyl-dimethyl-propan-2-ylazanium has a molecular weight of 254.29 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(propan-2-yloxy)phosphoryl]oxyethyl-dimethyl-propan-2-ylazanium is sourced from PubChem (CID 155766204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).