2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propoxy-hydroxy-oxophosphanium

C15H36O5PSi2+ — CID 88611659

IUPAC2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propoxy-hydroxy-oxophosphanium
SMILESCC(C)(C)[Si](C)(C)OCC(CO[P+](=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H35O5PSi2/c1-14(2,3)22(7,8)19-12-13(11-18-21(16)17)20-23(9,10)15(4,5)6/h13H,11-12H2,1-10H3/p+1
InChIKeyNLLPJMSCIMGJNT-UHFFFAOYSA-O
MW383.59 g/mol
LogP5.06
Rot. Bonds8

About 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propoxy-hydroxy-oxophosphanium

2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propoxy-hydroxy-oxophosphanium (PubChem CID 88611659) has the molecular formula C15H36O5PSi2+ and a molecular weight of 383.59 g/mol. Its IUPAC name is 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propoxy-hydroxy-oxophosphanium
PubChem CID88611659
Molecular FormulaC15H36O5PSi2+
Molecular Weight383.59 g/mol
Exact Mass383.18
IUPAC Name2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propoxy-hydroxy-oxophosphanium
SMILESCC(C)(C)[Si](C)(C)OCC(CO[P+](=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H35O5PSi2/c1-14(2,3)22(7,8)19-12-13(11-18-21(16)17)20-23(9,10)15(4,5)6/h13H,11-12H2,1-10H3/p+1
InChIKeyNLLPJMSCIMGJNT-UHFFFAOYSA-O
XLogP5.06
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.59
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoxy]-dimethylsilane
CID 25001970
[(1S,3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylbutoxy]-tert-butyl-dimethylsilane
CID 11271407
(2S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-4-methylideneheptan-1-ol
CID 101489055
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-4-(oxiran-2-yl)butan-2-yl]oxy-dimethylsilane
CID 87093292
(3S,4S)-4-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-methyloxetan-2-one
CID 10500503
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
4-[tert-butyl(dimethyl)silyl]oxyheptane-2,6-dione
CID 123783100
(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-one
CID 11672982
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
CID 87766399
[2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-tert-butyl-dimethylsilane
CID 125380572

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propoxy-hydroxy-oxophosphanium?
The IUPAC name of 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propoxy-hydroxy-oxophosphanium (CID 88611659) is 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propoxy-hydroxy-oxophosphanium.
What is the SMILES notation for 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propoxy-hydroxy-oxophosphanium?
The canonical SMILES for 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propoxy-hydroxy-oxophosphanium is CC(C)(C)[Si](C)(C)OCC(CO[P+](=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propoxy-hydroxy-oxophosphanium?
The InChIKey is NLLPJMSCIMGJNT-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H35O5PSi2/c1-14(2,3)22(7,8)19-12-13(11-18-21(16)17)20-23(9,10)15(4,5)6/h13H,11-12H2,1-10H3/p+1.
What are the key properties of 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propoxy-hydroxy-oxophosphanium?
2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propoxy-hydroxy-oxophosphanium has a molecular weight of 383.59 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 88611659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).