3-dimethoxysilylbutoxy-(3-dimethoxysilylbutylsulfanyl)-hydroxy-dimethyl-λ5-phosphane

C14H37O6PSSi2 — CID 175059108

IUPAC3-dimethoxysilylbutoxy-(3-dimethoxysilylbutylsulfanyl)-hydroxy-dimethyl-λ5-phosphane
SMILESCO[SiH](OC)C(C)CCOP(C)(C)(O)SCCC(C)[SiH](OC)OC
InChIInChI=1S/C14H37O6PSSi2/c1-13(23(16-3)17-4)9-11-20-21(7,8,15)22-12-10-14(2)24(18-5)19-6/h13-15,23-24H,9-12H2,1-8H3
InChIKeyIEVWIZJHOCGMNA-UHFFFAOYSA-N
MW420.66 g/mol
LogP2.87
Rot. Bonds14

About 3-dimethoxysilylbutoxy-(3-dimethoxysilylbutylsulfanyl)-hydroxy-dimethyl-λ5-phosphane

3-dimethoxysilylbutoxy-(3-dimethoxysilylbutylsulfanyl)-hydroxy-dimethyl-λ5-phosphane (PubChem CID 175059108) has the molecular formula C14H37O6PSSi2 and a molecular weight of 420.66 g/mol. Its IUPAC name is 3-dimethoxysilylbutoxy-(3-dimethoxysilylbutylsulfanyl)-hydroxy-dimethyl-λ5-phosphane.

Molecular Properties

Compound Name3-dimethoxysilylbutoxy-(3-dimethoxysilylbutylsulfanyl)-hydroxy-dimethyl-λ5-phosphane
PubChem CID175059108
Molecular FormulaC14H37O6PSSi2
Molecular Weight420.66 g/mol
Exact Mass420.16
IUPAC Name3-dimethoxysilylbutoxy-(3-dimethoxysilylbutylsulfanyl)-hydroxy-dimethyl-λ5-phosphane
SMILESCO[SiH](OC)C(C)CCOP(C)(C)(O)SCCC(C)[SiH](OC)OC
InChIInChI=1S/C14H37O6PSSi2/c1-13(23(16-3)17-4)9-11-20-21(7,8,15)22-12-10-14(2)24(18-5)19-6/h13-15,23-24H,9-12H2,1-8H3
InChIKeyIEVWIZJHOCGMNA-UHFFFAOYSA-N
XLogP2.87
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.66
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(3-dimethoxysilylbutyltrisulfanyl)butan-2-yl-dimethoxysilane
CID 154083059
dimethoxy(tridecan-2-yl)silane
CID 174991319
butan-2-yl(dimethoxy)silane;propane
CID 173302238
dimethoxy(4,4,4-trifluorobutan-2-yl)silane
CID 123462688
5-dimethoxysilylhexyl(ethyl)carbamic acid
CID 173191114
8-dimethoxysilyl-N-(3-dimethoxysilylbutyl)nonan-1-amine
CID 175409014
N,N'-bis(3-dimethoxysilylbutyl)-N,N'-dimethyloctane-1,8-diamine
CID 172714286
[6-dimethoxysilyl-4-(2-dimethoxysilylpropyl)-4-methylheptan-2-yl]-dimethoxysilane
CID 123257611
1-N,4-N-bis(3-dimethoxysilylbutyl)benzene-1,4-diamine
CID 154194478
tris(2-dimethoxysilylpropyl)-methoxysilane
CID 154071556
3-dimethoxysilylbutyl-hexadecyl-dimethylazanium bromide
CID 159975973
(1-chloro-3-methylbutyl)-dimethoxysilane
CID 123501518

Frequently Asked Questions

What is the IUPAC name of 3-dimethoxysilylbutoxy-(3-dimethoxysilylbutylsulfanyl)-hydroxy-dimethyl-λ5-phosphane?
The IUPAC name of 3-dimethoxysilylbutoxy-(3-dimethoxysilylbutylsulfanyl)-hydroxy-dimethyl-λ5-phosphane (CID 175059108) is 3-dimethoxysilylbutoxy-(3-dimethoxysilylbutylsulfanyl)-hydroxy-dimethyl-λ5-phosphane.
What is the SMILES notation for 3-dimethoxysilylbutoxy-(3-dimethoxysilylbutylsulfanyl)-hydroxy-dimethyl-λ5-phosphane?
The canonical SMILES for 3-dimethoxysilylbutoxy-(3-dimethoxysilylbutylsulfanyl)-hydroxy-dimethyl-λ5-phosphane is CO[SiH](OC)C(C)CCOP(C)(C)(O)SCCC(C)[SiH](OC)OC.
What is the InChIKey of 3-dimethoxysilylbutoxy-(3-dimethoxysilylbutylsulfanyl)-hydroxy-dimethyl-λ5-phosphane?
The InChIKey is IEVWIZJHOCGMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H37O6PSSi2/c1-13(23(16-3)17-4)9-11-20-21(7,8,15)22-12-10-14(2)24(18-5)19-6/h13-15,23-24H,9-12H2,1-8H3.
What are the key properties of 3-dimethoxysilylbutoxy-(3-dimethoxysilylbutylsulfanyl)-hydroxy-dimethyl-λ5-phosphane?
3-dimethoxysilylbutoxy-(3-dimethoxysilylbutylsulfanyl)-hydroxy-dimethyl-λ5-phosphane has a molecular weight of 420.66 g/mol, XLogP of 2.87, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethoxysilylbutoxy-(3-dimethoxysilylbutylsulfanyl)-hydroxy-dimethyl-λ5-phosphane is sourced from PubChem (CID 175059108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).