2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanal

C19H50O8Si6 — CID 173017437

IUPAC2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanal
SMILESCCCC(O)C(O)(C=O)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H50O8Si6/c1-15-16-18(21)19(22,17-20)33(25-30(8,9)10,26-31(11,12)13)27-32(14,23-28(2,3)4)24-29(5,6)7/h17-18,21-22H,15-16H2,1-14H3
InChIKeyKSPBDGRSNXMPHI-UHFFFAOYSA-N
MW575.12 g/mol
LogP4.55
Rot. Bonds15

About 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanal

2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanal (PubChem CID 173017437) has the molecular formula C19H50O8Si6 and a molecular weight of 575.12 g/mol. Its IUPAC name is 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanal.

Molecular Properties

Compound Name2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanal
PubChem CID173017437
Molecular FormulaC19H50O8Si6
Molecular Weight575.12 g/mol
Exact Mass574.21
IUPAC Name2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanal
SMILESCCCC(O)C(O)(C=O)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H50O8Si6/c1-15-16-18(21)19(22,17-20)33(25-30(8,9)10,26-31(11,12)13)27-32(14,23-28(2,3)4)24-29(5,6)7/h17-18,21-22H,15-16H2,1-14H3
InChIKeyKSPBDGRSNXMPHI-UHFFFAOYSA-N
XLogP4.55
TPSA103.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.12
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanal?
The IUPAC name of 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanal (CID 173017437) is 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanal.
What is the SMILES notation for 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanal?
The canonical SMILES for 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanal is CCCC(O)C(O)(C=O)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanal?
The InChIKey is KSPBDGRSNXMPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H50O8Si6/c1-15-16-18(21)19(22,17-20)33(25-30(8,9)10,26-31(11,12)13)27-32(14,23-28(2,3)4)24-29(5,6)7/h17-18,21-22H,15-16H2,1-14H3.
What are the key properties of 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanal?
2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanal has a molecular weight of 575.12 g/mol, XLogP of 4.55, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanal is sourced from PubChem (CID 173017437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).