trimethyl-[(2S,3S,4S,5R)-1,2,4,5,6-pentakis(trimethylsilyloxy)hexan-3-yl]oxysilane

C24H62O6Si6 — CID 91746474

IUPACtrimethyl-[(2S,3S,4S,5R)-1,2,4,5,6-pentakis(trimethylsilyloxy)hexan-3-yl]oxysilane
SMILESC[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C24H62O6Si6/c1-31(2,3)25-19-21(27-33(7,8)9)23(29-35(13,14)15)24(30-36(16,17)18)22(28-34(10,11)12)20-26-32(4,5)6/h21-24H,19-20H2,1-18H3/t21-,22+,23-,24-/m0/s1
InChIKeyUSBJDBWAPKNPCK-KIHHCIJBSA-N
MW615.27 g/mol
LogP7.57
Rot. Bonds17

About trimethyl-[(2S,3S,4S,5R)-1,2,4,5,6-pentakis(trimethylsilyloxy)hexan-3-yl]oxysilane

trimethyl-[(2S,3S,4S,5R)-1,2,4,5,6-pentakis(trimethylsilyloxy)hexan-3-yl]oxysilane (PubChem CID 91746474) has the molecular formula C24H62O6Si6 and a molecular weight of 615.27 g/mol. Its IUPAC name is trimethyl-[(2S,3S,4S,5R)-1,2,4,5,6-pentakis(trimethylsilyloxy)hexan-3-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(2S,3S,4S,5R)-1,2,4,5,6-pentakis(trimethylsilyloxy)hexan-3-yl]oxysilane
PubChem CID91746474
Molecular FormulaC24H62O6Si6
Molecular Weight615.27 g/mol
Exact Mass614.32
IUPAC Nametrimethyl-[(2S,3S,4S,5R)-1,2,4,5,6-pentakis(trimethylsilyloxy)hexan-3-yl]oxysilane
SMILESC[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C24H62O6Si6/c1-31(2,3)25-19-21(27-33(7,8)9)23(29-35(13,14)15)24(30-36(16,17)18)22(28-34(10,11)12)20-26-32(4,5)6/h21-24H,19-20H2,1-18H3/t21-,22+,23-,24-/m0/s1
InChIKeyUSBJDBWAPKNPCK-KIHHCIJBSA-N
XLogP7.57
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.27
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2S,3S,4S,5R)-1,2,4,5,6-pentakis(trimethylsilyloxy)hexan-3-yl]oxysilane?
The IUPAC name of trimethyl-[(2S,3S,4S,5R)-1,2,4,5,6-pentakis(trimethylsilyloxy)hexan-3-yl]oxysilane (CID 91746474) is trimethyl-[(2S,3S,4S,5R)-1,2,4,5,6-pentakis(trimethylsilyloxy)hexan-3-yl]oxysilane.
What is the SMILES notation for trimethyl-[(2S,3S,4S,5R)-1,2,4,5,6-pentakis(trimethylsilyloxy)hexan-3-yl]oxysilane?
The canonical SMILES for trimethyl-[(2S,3S,4S,5R)-1,2,4,5,6-pentakis(trimethylsilyloxy)hexan-3-yl]oxysilane is C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[(2S,3S,4S,5R)-1,2,4,5,6-pentakis(trimethylsilyloxy)hexan-3-yl]oxysilane?
The InChIKey is USBJDBWAPKNPCK-KIHHCIJBSA-N. The full InChI is InChI=1S/C24H62O6Si6/c1-31(2,3)25-19-21(27-33(7,8)9)23(29-35(13,14)15)24(30-36(16,17)18)22(28-34(10,11)12)20-26-32(4,5)6/h21-24H,19-20H2,1-18H3/t21-,22+,23-,24-/m0/s1.
What are the key properties of trimethyl-[(2S,3S,4S,5R)-1,2,4,5,6-pentakis(trimethylsilyloxy)hexan-3-yl]oxysilane?
trimethyl-[(2S,3S,4S,5R)-1,2,4,5,6-pentakis(trimethylsilyloxy)hexan-3-yl]oxysilane has a molecular weight of 615.27 g/mol, XLogP of 7.57, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2S,3S,4S,5R)-1,2,4,5,6-pentakis(trimethylsilyloxy)hexan-3-yl]oxysilane is sourced from PubChem (CID 91746474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).