tris(2,3,3-triethoxypropylsilane);tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane)

C27H78O21P4S4Si3 — CID 174051401

IUPACtris(2,3,3-triethoxypropylsilane);tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESCCOC(C[SiH3])C(OCC)OCC.CCOC(C[SiH3])C(OCC)OCC.CCOC(C[SiH3])C(OCC)OCC.OP(O)(O)=S.OP(O)(O)=S.OP(O)(O)=S.OP(O)(O)=S
InChIInChI=1S/3C9H22O3Si.4H3O3PS/c3*1-4-10-8(7-13)9(11-5-2)12-6-3;4*1-4(2,3)5/h3*8-9H,4-7H2,1-3,13H3;4*(H3,1,2,3,5)
InChIKeyYZALYNUMWXCQLW-UHFFFAOYSA-N
MW1075.32 g/mol
LogP-1.53
Rot. Bonds24

About tris(2,3,3-triethoxypropylsilane);tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane)

tris(2,3,3-triethoxypropylsilane);tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane) (PubChem CID 174051401) has the molecular formula C27H78O21P4S4Si3 and a molecular weight of 1075.32 g/mol. Its IUPAC name is tris(2,3,3-triethoxypropylsilane);tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane).

Molecular Properties

Compound Nametris(2,3,3-triethoxypropylsilane);tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane)
PubChem CID174051401
Molecular FormulaC27H78O21P4S4Si3
Molecular Weight1075.32 g/mol
Exact Mass1074.22
IUPAC Nametris(2,3,3-triethoxypropylsilane);tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESCCOC(C[SiH3])C(OCC)OCC.CCOC(C[SiH3])C(OCC)OCC.CCOC(C[SiH3])C(OCC)OCC.OP(O)(O)=S.OP(O)(O)=S.OP(O)(O)=S.OP(O)(O)=S
InChIInChI=1S/3C9H22O3Si.4H3O3PS/c3*1-4-10-8(7-13)9(11-5-2)12-6-3;4*1-4(2,3)5/h3*8-9H,4-7H2,1-3,13H3;4*(H3,1,2,3,5)
InChIKeyYZALYNUMWXCQLW-UHFFFAOYSA-N
XLogP-1.53
TPSA325.83 Ų
H-Bond Donors12
H-Bond Acceptors13
Rotatable Bonds24
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001075.32
LogP ≤ 5-1.53
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1013

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': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

propane;tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222318
(2R)-1,1-diethoxy-3-fluoropropan-2-ol
CID 131846513
1,1-diethoxypent-4-yn-2-ol
CID 79495751
propane;titanium;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 175338467
1,1-diethoxy-4-methylidenehexan-2-ol
CID 79495661
1,1-diethoxy-4-silylbutan-2-amine
CID 174746425
1,1-diethoxyethane
CID 7765
2,2-diethoxy-1-methoxyethanol
CID 123958282
(2S)-3-ethoxy-3-(2-hydroxyethoxy)propane-1,2-diol
CID 89386326
(2S)-3-(diethylamino)-1,1-diethoxypropan-2-ol
CID 95562516
2,3-diethoxybutane;ethane-1,2-diol
CID 158153184
ethoxy-dihydroxy-sulfanylidene-λ5-phosphane;dihydrochloride
CID 88641033

Frequently Asked Questions

What is the IUPAC name of tris(2,3,3-triethoxypropylsilane);tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The IUPAC name of tris(2,3,3-triethoxypropylsilane);tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane) (CID 174051401) is tris(2,3,3-triethoxypropylsilane);tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane).
What is the SMILES notation for tris(2,3,3-triethoxypropylsilane);tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The canonical SMILES for tris(2,3,3-triethoxypropylsilane);tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane) is CCOC(C[SiH3])C(OCC)OCC.CCOC(C[SiH3])C(OCC)OCC.CCOC(C[SiH3])C(OCC)OCC.OP(O)(O)=S.OP(O)(O)=S.OP(O)(O)=S.OP(O)(O)=S.
What is the InChIKey of tris(2,3,3-triethoxypropylsilane);tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The InChIKey is YZALYNUMWXCQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H22O3Si.4H3O3PS/c3*1-4-10-8(7-13)9(11-5-2)12-6-3;4*1-4(2,3)5/h3*8-9H,4-7H2,1-3,13H3;4*(H3,1,2,3,5).
What are the key properties of tris(2,3,3-triethoxypropylsilane);tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane)?
tris(2,3,3-triethoxypropylsilane);tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane) has a molecular weight of 1075.32 g/mol, XLogP of -1.53, 24 rotatable bonds, 12 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,3,3-triethoxypropylsilane);tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane) is sourced from PubChem (CID 174051401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).