tris(3-cyclopentyloxysilylpropylsulfanyl)-sulfanylidene-λ5-phosphane

C24H51O3PS4Si3 — CID 123849607

IUPACtris(3-cyclopentyloxysilylpropylsulfanyl)-sulfanylidene-λ5-phosphane
SMILESS=P(SCCC[SiH2]OC1CCCC1)(SCCC[SiH2]OC1CCCC1)SCCC[SiH2]OC1CCCC1
InChIInChI=1S/C24H51O3PS4Si3/c29-28(30-16-7-19-33-25-22-10-1-2-11-22,31-17-8-20-34-26-23-12-3-4-13-23)32-18-9-21-35-27-24-14-5-6-15-24/h22-24H,1-21,33-35H2
InChIKeyVQFAXFTUQJHBFJ-UHFFFAOYSA-N
MW631.17 g/mol
LogP6.96
Rot. Bonds21

About tris(3-cyclopentyloxysilylpropylsulfanyl)-sulfanylidene-λ5-phosphane

tris(3-cyclopentyloxysilylpropylsulfanyl)-sulfanylidene-λ5-phosphane (PubChem CID 123849607) has the molecular formula C24H51O3PS4Si3 and a molecular weight of 631.17 g/mol. Its IUPAC name is tris(3-cyclopentyloxysilylpropylsulfanyl)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nametris(3-cyclopentyloxysilylpropylsulfanyl)-sulfanylidene-λ5-phosphane
PubChem CID123849607
Molecular FormulaC24H51O3PS4Si3
Molecular Weight631.17 g/mol
Exact Mass630.18
IUPAC Nametris(3-cyclopentyloxysilylpropylsulfanyl)-sulfanylidene-λ5-phosphane
SMILESS=P(SCCC[SiH2]OC1CCCC1)(SCCC[SiH2]OC1CCCC1)SCCC[SiH2]OC1CCCC1
InChIInChI=1S/C24H51O3PS4Si3/c29-28(30-16-7-19-33-25-22-10-1-2-11-22,31-17-8-20-34-26-23-12-3-4-13-23)32-18-9-21-35-27-24-14-5-6-15-24/h22-24H,1-21,33-35H2
InChIKeyVQFAXFTUQJHBFJ-UHFFFAOYSA-N
XLogP6.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.17
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 tris(3-cyclopentyloxysilylpropylsulfanyl)-sulfanylidene-λ5-phosphane?
The IUPAC name of tris(3-cyclopentyloxysilylpropylsulfanyl)-sulfanylidene-λ5-phosphane (CID 123849607) is tris(3-cyclopentyloxysilylpropylsulfanyl)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for tris(3-cyclopentyloxysilylpropylsulfanyl)-sulfanylidene-λ5-phosphane?
The canonical SMILES for tris(3-cyclopentyloxysilylpropylsulfanyl)-sulfanylidene-λ5-phosphane is S=P(SCCC[SiH2]OC1CCCC1)(SCCC[SiH2]OC1CCCC1)SCCC[SiH2]OC1CCCC1.
What is the InChIKey of tris(3-cyclopentyloxysilylpropylsulfanyl)-sulfanylidene-λ5-phosphane?
The InChIKey is VQFAXFTUQJHBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51O3PS4Si3/c29-28(30-16-7-19-33-25-22-10-1-2-11-22,31-17-8-20-34-26-23-12-3-4-13-23)32-18-9-21-35-27-24-14-5-6-15-24/h22-24H,1-21,33-35H2.
What are the key properties of tris(3-cyclopentyloxysilylpropylsulfanyl)-sulfanylidene-λ5-phosphane?
tris(3-cyclopentyloxysilylpropylsulfanyl)-sulfanylidene-λ5-phosphane has a molecular weight of 631.17 g/mol, XLogP of 6.96, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-cyclopentyloxysilylpropylsulfanyl)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 123849607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).