trimethyl-[[(2E,8E)-1-methyl-1-oxo-8-trimethylsilyloxy-4,5,6,7-tetrahydro-1λ5-phosphonin-3-yl]oxy]silane

C15H31O3PSi2 — CID 23415932

IUPACtrimethyl-[[(2E,8E)-1-methyl-1-oxo-8-trimethylsilyloxy-4,5,6,7-tetrahydro-1λ5-phosphonin-3-yl]oxy]silane
SMILESC[Si](C)(C)O/C1=C/P(C)(=O)/C=C(/O[Si](C)(C)C)CCCC1
InChIInChI=1S/C15H31O3PSi2/c1-19(16)12-14(17-20(2,3)4)10-8-9-11-15(13-19)18-21(5,6)7/h12-13H,8-11H2,1-7H3/b14-12+,15-13+
InChIKeyMJWDIWQBUNBGHQ-QUMQEAAQSA-N
MW346.56 g/mol
LogP5.94
Rot. Bonds4

About trimethyl-[[(2E,8E)-1-methyl-1-oxo-8-trimethylsilyloxy-4,5,6,7-tetrahydro-1λ5-phosphonin-3-yl]oxy]silane

trimethyl-[[(2E,8E)-1-methyl-1-oxo-8-trimethylsilyloxy-4,5,6,7-tetrahydro-1λ5-phosphonin-3-yl]oxy]silane (PubChem CID 23415932) has the molecular formula C15H31O3PSi2 and a molecular weight of 346.56 g/mol. Its IUPAC name is trimethyl-[[(2E,8E)-1-methyl-1-oxo-8-trimethylsilyloxy-4,5,6,7-tetrahydro-1λ5-phosphonin-3-yl]oxy]silane.

Molecular Properties

Compound Nametrimethyl-[[(2E,8E)-1-methyl-1-oxo-8-trimethylsilyloxy-4,5,6,7-tetrahydro-1λ5-phosphonin-3-yl]oxy]silane
PubChem CID23415932
Molecular FormulaC15H31O3PSi2
Molecular Weight346.56 g/mol
Exact Mass346.15
IUPAC Nametrimethyl-[[(2E,8E)-1-methyl-1-oxo-8-trimethylsilyloxy-4,5,6,7-tetrahydro-1λ5-phosphonin-3-yl]oxy]silane
SMILESC[Si](C)(C)O/C1=C/P(C)(=O)/C=C(/O[Si](C)(C)C)CCCC1
InChIInChI=1S/C15H31O3PSi2/c1-19(16)12-14(17-20(2,3)4)10-8-9-11-15(13-19)18-21(5,6)7/h12-13H,8-11H2,1-7H3/b14-12+,15-13+
InChIKeyMJWDIWQBUNBGHQ-QUMQEAAQSA-N
XLogP5.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.56
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(2E,8E)-1-methyl-1-oxo-8-trimethylsilyloxy-4,5,6,7-tetrahydro-1λ5-phosphonin-3-yl]oxy]silane?
The IUPAC name of trimethyl-[[(2E,8E)-1-methyl-1-oxo-8-trimethylsilyloxy-4,5,6,7-tetrahydro-1λ5-phosphonin-3-yl]oxy]silane (CID 23415932) is trimethyl-[[(2E,8E)-1-methyl-1-oxo-8-trimethylsilyloxy-4,5,6,7-tetrahydro-1λ5-phosphonin-3-yl]oxy]silane.
What is the SMILES notation for trimethyl-[[(2E,8E)-1-methyl-1-oxo-8-trimethylsilyloxy-4,5,6,7-tetrahydro-1λ5-phosphonin-3-yl]oxy]silane?
The canonical SMILES for trimethyl-[[(2E,8E)-1-methyl-1-oxo-8-trimethylsilyloxy-4,5,6,7-tetrahydro-1λ5-phosphonin-3-yl]oxy]silane is C[Si](C)(C)O/C1=C/P(C)(=O)/C=C(/O[Si](C)(C)C)CCCC1.
What is the InChIKey of trimethyl-[[(2E,8E)-1-methyl-1-oxo-8-trimethylsilyloxy-4,5,6,7-tetrahydro-1λ5-phosphonin-3-yl]oxy]silane?
The InChIKey is MJWDIWQBUNBGHQ-QUMQEAAQSA-N. The full InChI is InChI=1S/C15H31O3PSi2/c1-19(16)12-14(17-20(2,3)4)10-8-9-11-15(13-19)18-21(5,6)7/h12-13H,8-11H2,1-7H3/b14-12+,15-13+.
What are the key properties of trimethyl-[[(2E,8E)-1-methyl-1-oxo-8-trimethylsilyloxy-4,5,6,7-tetrahydro-1λ5-phosphonin-3-yl]oxy]silane?
trimethyl-[[(2E,8E)-1-methyl-1-oxo-8-trimethylsilyloxy-4,5,6,7-tetrahydro-1λ5-phosphonin-3-yl]oxy]silane has a molecular weight of 346.56 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(2E,8E)-1-methyl-1-oxo-8-trimethylsilyloxy-4,5,6,7-tetrahydro-1λ5-phosphonin-3-yl]oxy]silane is sourced from PubChem (CID 23415932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).