4-phosphanylhept-2-en-4-yl tris(trimethylsilyl) silicate

C16H41O4PSi4 — CID 91076456

IUPAC4-phosphanylhept-2-en-4-yl tris(trimethylsilyl) silicate
SMILESCC=CC(P)(CCC)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H41O4PSi4/c1-12-14-16(21,15-13-2)17-25(18-22(3,4)5,19-23(6,7)8)20-24(9,10)11/h12,14H,13,15,21H2,1-11H3
InChIKeyALDPNVDLJMDJPM-UHFFFAOYSA-N
MW440.82 g/mol
LogP5.94
Rot. Bonds11

About 4-phosphanylhept-2-en-4-yl tris(trimethylsilyl) silicate

4-phosphanylhept-2-en-4-yl tris(trimethylsilyl) silicate (PubChem CID 91076456) has the molecular formula C16H41O4PSi4 and a molecular weight of 440.82 g/mol. Its IUPAC name is 4-phosphanylhept-2-en-4-yl tris(trimethylsilyl) silicate.

Molecular Properties

Compound Name4-phosphanylhept-2-en-4-yl tris(trimethylsilyl) silicate
PubChem CID91076456
Molecular FormulaC16H41O4PSi4
Molecular Weight440.82 g/mol
Exact Mass440.18
IUPAC Name4-phosphanylhept-2-en-4-yl tris(trimethylsilyl) silicate
SMILESCC=CC(P)(CCC)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H41O4PSi4/c1-12-14-16(21,15-13-2)17-25(18-22(3,4)5,19-23(6,7)8)20-24(9,10)11/h12,14H,13,15,21H2,1-11H3
InChIKeyALDPNVDLJMDJPM-UHFFFAOYSA-N
XLogP5.94
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.82
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-trimethylsilyloxyheptan-4-ylphosphane
CID 102499494
ethyl tris(trimethylsilyl) silicate
CID 624542
(E)-4,4-difluorohept-2-ene;ethane
CID 143807036
4-methyl-4-propylhept-2-ene
CID 123389519
trimethyl-[(Z)-5-methylnon-2-en-5-yl]oxysilane
CID 161469937
tetrapropyl silicate;trimethyl(trimethylsilyloxy)silane
CID 87590627
(E)-4-ethyloct-2-en-4-ol
CID 24978181
ethenyl-[1-[[1-[ethenyl(dimethyl)silyl]-1-ethylbutoxy]-dimethylsilyl]-1-ethylpropoxy]-dimethylsilane
CID 123963847
ethyl tris[methyl-bis(trimethylsilyloxy)silyl] silicate
CID 24766878
[5-butyl-6-[tris(trimethylsilyloxy)silylmethyl]decan-5-yl]phosphane;hydrate
CID 173398216
3-ethylhex-4-en-3-ol
CID 54219311
1,1-bis[[dimethyl(trimethylsilyloxy)silyl]oxy]prop-2-enoxy-dimethyl-trimethylsilyloxysilane
CID 162488567

Frequently Asked Questions

What is the IUPAC name of 4-phosphanylhept-2-en-4-yl tris(trimethylsilyl) silicate?
The IUPAC name of 4-phosphanylhept-2-en-4-yl tris(trimethylsilyl) silicate (CID 91076456) is 4-phosphanylhept-2-en-4-yl tris(trimethylsilyl) silicate.
What is the SMILES notation for 4-phosphanylhept-2-en-4-yl tris(trimethylsilyl) silicate?
The canonical SMILES for 4-phosphanylhept-2-en-4-yl tris(trimethylsilyl) silicate is CC=CC(P)(CCC)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 4-phosphanylhept-2-en-4-yl tris(trimethylsilyl) silicate?
The InChIKey is ALDPNVDLJMDJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H41O4PSi4/c1-12-14-16(21,15-13-2)17-25(18-22(3,4)5,19-23(6,7)8)20-24(9,10)11/h12,14H,13,15,21H2,1-11H3.
What are the key properties of 4-phosphanylhept-2-en-4-yl tris(trimethylsilyl) silicate?
4-phosphanylhept-2-en-4-yl tris(trimethylsilyl) silicate has a molecular weight of 440.82 g/mol, XLogP of 5.94, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phosphanylhept-2-en-4-yl tris(trimethylsilyl) silicate is sourced from PubChem (CID 91076456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).