[(5S)-3,3-dimethoxy-5-methyl-6-phenylsulfanylhexoxy]-tri(propan-2-yl)silane

C24H44O3SSi — CID 44521850

IUPAC[(5S)-3,3-dimethoxy-5-methyl-6-phenylsulfanylhexoxy]-tri(propan-2-yl)silane
SMILESCOC(CCO[Si](C(C)C)(C(C)C)C(C)C)(C[C@H](C)CSc1ccccc1)OC
InChIInChI=1S/C24H44O3SSi/c1-19(2)29(20(3)4,21(5)6)27-16-15-24(25-8,26-9)17-22(7)18-28-23-13-11-10-12-14-23/h10-14,19-22H,15-18H2,1-9H3/t22-/m0/s1
InChIKeyLPBWEFLMEFVLAL-QFIPXVFZSA-N
MW440.77 g/mol
LogP7.38
Rot. Bonds14

About [(5S)-3,3-dimethoxy-5-methyl-6-phenylsulfanylhexoxy]-tri(propan-2-yl)silane

[(5S)-3,3-dimethoxy-5-methyl-6-phenylsulfanylhexoxy]-tri(propan-2-yl)silane (PubChem CID 44521850) has the molecular formula C24H44O3SSi and a molecular weight of 440.77 g/mol. Its IUPAC name is [(5S)-3,3-dimethoxy-5-methyl-6-phenylsulfanylhexoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(5S)-3,3-dimethoxy-5-methyl-6-phenylsulfanylhexoxy]-tri(propan-2-yl)silane
PubChem CID44521850
Molecular FormulaC24H44O3SSi
Molecular Weight440.77 g/mol
Exact Mass440.28
IUPAC Name[(5S)-3,3-dimethoxy-5-methyl-6-phenylsulfanylhexoxy]-tri(propan-2-yl)silane
SMILESCOC(CCO[Si](C(C)C)(C(C)C)C(C)C)(C[C@H](C)CSc1ccccc1)OC
InChIInChI=1S/C24H44O3SSi/c1-19(2)29(20(3)4,21(5)6)27-16-15-24(25-8,26-9)17-22(7)18-28-23-13-11-10-12-14-23/h10-14,19-22H,15-18H2,1-9H3/t22-/m0/s1
InChIKeyLPBWEFLMEFVLAL-QFIPXVFZSA-N
XLogP7.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.77
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(5S)-3,3-dimethoxy-5-methyl-6-phenylsulfanylhexoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(5S)-3,3-dimethoxy-5-methyl-6-phenylsulfanylhexoxy]-tri(propan-2-yl)silane (CID 44521850) is [(5S)-3,3-dimethoxy-5-methyl-6-phenylsulfanylhexoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(5S)-3,3-dimethoxy-5-methyl-6-phenylsulfanylhexoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(5S)-3,3-dimethoxy-5-methyl-6-phenylsulfanylhexoxy]-tri(propan-2-yl)silane is COC(CCO[Si](C(C)C)(C(C)C)C(C)C)(C[C@H](C)CSc1ccccc1)OC.
What is the InChIKey of [(5S)-3,3-dimethoxy-5-methyl-6-phenylsulfanylhexoxy]-tri(propan-2-yl)silane?
The InChIKey is LPBWEFLMEFVLAL-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H44O3SSi/c1-19(2)29(20(3)4,21(5)6)27-16-15-24(25-8,26-9)17-22(7)18-28-23-13-11-10-12-14-23/h10-14,19-22H,15-18H2,1-9H3/t22-/m0/s1.
What are the key properties of [(5S)-3,3-dimethoxy-5-methyl-6-phenylsulfanylhexoxy]-tri(propan-2-yl)silane?
[(5S)-3,3-dimethoxy-5-methyl-6-phenylsulfanylhexoxy]-tri(propan-2-yl)silane has a molecular weight of 440.77 g/mol, XLogP of 7.38, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-3,3-dimethoxy-5-methyl-6-phenylsulfanylhexoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 44521850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).