(3-dimethylsilyloxy-4,4-dimethylpent-1-en-3-yl)oxy-hydroxy-oxophosphanium

C9H20O4PSi+ — CID 173373991

IUPAC(3-dimethylsilyloxy-4,4-dimethylpent-1-en-3-yl)oxy-hydroxy-oxophosphanium
SMILESC=CC(O[SiH](C)C)(O[P+](=O)O)C(C)(C)C
InChIInChI=1S/C9H19O4PSi/c1-7-9(8(2,3)4,12-14(10)11)13-15(5)6/h7,15H,1H2,2-6H3/p+1
InChIKeyWWLLVQWHLZWPEM-UHFFFAOYSA-O
MW251.31 g/mol
LogP2.58
Rot. Bonds5

About (3-dimethylsilyloxy-4,4-dimethylpent-1-en-3-yl)oxy-hydroxy-oxophosphanium

(3-dimethylsilyloxy-4,4-dimethylpent-1-en-3-yl)oxy-hydroxy-oxophosphanium (PubChem CID 173373991) has the molecular formula C9H20O4PSi+ and a molecular weight of 251.31 g/mol. Its IUPAC name is (3-dimethylsilyloxy-4,4-dimethylpent-1-en-3-yl)oxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name(3-dimethylsilyloxy-4,4-dimethylpent-1-en-3-yl)oxy-hydroxy-oxophosphanium
PubChem CID173373991
Molecular FormulaC9H20O4PSi+
Molecular Weight251.31 g/mol
Exact Mass251.09
IUPAC Name(3-dimethylsilyloxy-4,4-dimethylpent-1-en-3-yl)oxy-hydroxy-oxophosphanium
SMILESC=CC(O[SiH](C)C)(O[P+](=O)O)C(C)(C)C
InChIInChI=1S/C9H19O4PSi/c1-7-9(8(2,3)4,12-14(10)11)13-15(5)6/h7,15H,1H2,2-6H3/p+1
InChIKeyWWLLVQWHLZWPEM-UHFFFAOYSA-O
XLogP2.58
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-dimethylsilyloxy-2-methylpropyl) prop-2-enoate
CID 123610897
2-ethoxypropan-2-yloxy-hydroxy-oxophosphanium
CID 121257772
dihydroxy(oxo)phosphanium;bis(prop-1-ene)
CID 87707073
ethenoxy-hydroxy-oxophosphanium
CID 6328071
dihydroxy(oxo)phosphanium;bis(trimethylsilane)
CID 173149913
hydroxy-[2-(oxiran-2-yl)propan-2-yloxy]-oxophosphanium
CID 88663341
hydroxy-(2-hydroxy-2-methyl-3-oxopent-4-enoxy)-oxophosphanium
CID 174761402
bis(dihydroxy(oxo)phosphanium);ethene
CID 157056745
3-chloropentan-3-yloxy-hydroxy-oxophosphanium
CID 87677652
butane;ethenoxy-hydroxy-oxophosphanium
CID 87195641
acetylene;ethenoxy-hydroxy-oxophosphanium
CID 175157956
[3-[[di(propan-2-yl)amino]-methoxyphosphanyl]-2,2,4,4-tetramethylpentan-3-yl]oxy-hydroxy-oxophosphanium
CID 175847272

Frequently Asked Questions

What is the IUPAC name of (3-dimethylsilyloxy-4,4-dimethylpent-1-en-3-yl)oxy-hydroxy-oxophosphanium?
The IUPAC name of (3-dimethylsilyloxy-4,4-dimethylpent-1-en-3-yl)oxy-hydroxy-oxophosphanium (CID 173373991) is (3-dimethylsilyloxy-4,4-dimethylpent-1-en-3-yl)oxy-hydroxy-oxophosphanium.
What is the SMILES notation for (3-dimethylsilyloxy-4,4-dimethylpent-1-en-3-yl)oxy-hydroxy-oxophosphanium?
The canonical SMILES for (3-dimethylsilyloxy-4,4-dimethylpent-1-en-3-yl)oxy-hydroxy-oxophosphanium is C=CC(O[SiH](C)C)(O[P+](=O)O)C(C)(C)C.
What is the InChIKey of (3-dimethylsilyloxy-4,4-dimethylpent-1-en-3-yl)oxy-hydroxy-oxophosphanium?
The InChIKey is WWLLVQWHLZWPEM-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H19O4PSi/c1-7-9(8(2,3)4,12-14(10)11)13-15(5)6/h7,15H,1H2,2-6H3/p+1.
What are the key properties of (3-dimethylsilyloxy-4,4-dimethylpent-1-en-3-yl)oxy-hydroxy-oxophosphanium?
(3-dimethylsilyloxy-4,4-dimethylpent-1-en-3-yl)oxy-hydroxy-oxophosphanium has a molecular weight of 251.31 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-dimethylsilyloxy-4,4-dimethylpent-1-en-3-yl)oxy-hydroxy-oxophosphanium is sourced from PubChem (CID 173373991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).