tris[hepta-1,6-dien-4-yl(dimethyl)silyl] phosphate

C27H51O4PSi3 — CID 156853003

IUPACtris[hepta-1,6-dien-4-yl(dimethyl)silyl] phosphate
SMILESC=CCC(CC=C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(CC=C)CC=C)O[Si](C)(C)C(CC=C)CC=C
InChIInChI=1S/C27H51O4PSi3/c1-13-19-25(20-14-2)33(7,8)29-32(28,30-34(9,10)26(21-15-3)22-16-4)31-35(11,12)27(23-17-5)24-18-6/h13-18,25-27H,1-6,19-24H2,7-12H3
InChIKeyPRQRPXGXVMKRFG-UHFFFAOYSA-N
MW554.93 g/mol
LogP10.33
Rot. Bonds21

About tris[hepta-1,6-dien-4-yl(dimethyl)silyl] phosphate

tris[hepta-1,6-dien-4-yl(dimethyl)silyl] phosphate (PubChem CID 156853003) has the molecular formula C27H51O4PSi3 and a molecular weight of 554.93 g/mol. Its IUPAC name is tris[hepta-1,6-dien-4-yl(dimethyl)silyl] phosphate.

Molecular Properties

Compound Nametris[hepta-1,6-dien-4-yl(dimethyl)silyl] phosphate
PubChem CID156853003
Molecular FormulaC27H51O4PSi3
Molecular Weight554.93 g/mol
Exact Mass554.28
IUPAC Nametris[hepta-1,6-dien-4-yl(dimethyl)silyl] phosphate
SMILESC=CCC(CC=C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(CC=C)CC=C)O[Si](C)(C)C(CC=C)CC=C
InChIInChI=1S/C27H51O4PSi3/c1-13-19-25(20-14-2)33(7,8)29-32(28,30-34(9,10)26(21-15-3)22-16-4)31-35(11,12)27(23-17-5)24-18-6/h13-18,25-27H,1-6,19-24H2,7-12H3
InChIKeyPRQRPXGXVMKRFG-UHFFFAOYSA-N
XLogP10.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.93
LogP ≤ 510.33
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-[hydroxy(dimethyl)silyl]hept-6-en-2-one
CID 10867071
1-N,1-N,1-N',1-N'-tetrakis(trimethylsilyl)but-3-ene-1,1-diamine
CID 141400961
1-trimethylsilylbut-3-en-1-ol
CID 130152388
hepta-1,6-dien-4-amine;phosphoric acid
CID 87790614
3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
CID 14110577
(3S)-1-dimethoxyphosphoryl-3-(methylamino)hex-5-en-2-one
CID 134554756
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enoxy]-dimethylsilane
CID 101029883
[(3S,4R)-4-ethenylhepta-1,6-dien-3-yl]oxy-trimethylsilane
CID 10846154
trimethylalumane;tris(trimethylsilyl) phosphate
CID 16689658
chloromethyl(1,2-dibromohex-5-en-3-yloxy)phosphinic acid
CID 88759866
azane;methyl bis(prop-2-enyl) phosphate
CID 174513624
trimethoxy(pent-4-en-2-yl)silane
CID 87283043

Frequently Asked Questions

What is the IUPAC name of tris[hepta-1,6-dien-4-yl(dimethyl)silyl] phosphate?
The IUPAC name of tris[hepta-1,6-dien-4-yl(dimethyl)silyl] phosphate (CID 156853003) is tris[hepta-1,6-dien-4-yl(dimethyl)silyl] phosphate.
What is the SMILES notation for tris[hepta-1,6-dien-4-yl(dimethyl)silyl] phosphate?
The canonical SMILES for tris[hepta-1,6-dien-4-yl(dimethyl)silyl] phosphate is C=CCC(CC=C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(CC=C)CC=C)O[Si](C)(C)C(CC=C)CC=C.
What is the InChIKey of tris[hepta-1,6-dien-4-yl(dimethyl)silyl] phosphate?
The InChIKey is PRQRPXGXVMKRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H51O4PSi3/c1-13-19-25(20-14-2)33(7,8)29-32(28,30-34(9,10)26(21-15-3)22-16-4)31-35(11,12)27(23-17-5)24-18-6/h13-18,25-27H,1-6,19-24H2,7-12H3.
What are the key properties of tris[hepta-1,6-dien-4-yl(dimethyl)silyl] phosphate?
tris[hepta-1,6-dien-4-yl(dimethyl)silyl] phosphate has a molecular weight of 554.93 g/mol, XLogP of 10.33, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris[hepta-1,6-dien-4-yl(dimethyl)silyl] phosphate is sourced from PubChem (CID 156853003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).