3-[2,3-bis(trimethylsilyloxy)propyl]-5-dec-9-ynyloxolan-2-one

C23H44O4Si2 — CID 162820182

IUPAC3-[2,3-bis(trimethylsilyloxy)propyl]-5-dec-9-ynyloxolan-2-one
SMILESC#CCCCCCCCCC1CC(CC(CO[Si](C)(C)C)O[Si](C)(C)C)C(=O)O1
InChIInChI=1S/C23H44O4Si2/c1-8-9-10-11-12-13-14-15-16-21-17-20(23(24)26-21)18-22(27-29(5,6)7)19-25-28(2,3)4/h1,20-22H,9-19H2,2-7H3
InChIKeyHLXIGBXKGOXTIE-UHFFFAOYSA-N
MW440.77 g/mol
LogP6.13
Rot. Bonds15

About 3-[2,3-bis(trimethylsilyloxy)propyl]-5-dec-9-ynyloxolan-2-one

3-[2,3-bis(trimethylsilyloxy)propyl]-5-dec-9-ynyloxolan-2-one (PubChem CID 162820182) has the molecular formula C23H44O4Si2 and a molecular weight of 440.77 g/mol. Its IUPAC name is 3-[2,3-bis(trimethylsilyloxy)propyl]-5-dec-9-ynyloxolan-2-one.

Molecular Properties

Compound Name3-[2,3-bis(trimethylsilyloxy)propyl]-5-dec-9-ynyloxolan-2-one
PubChem CID162820182
Molecular FormulaC23H44O4Si2
Molecular Weight440.77 g/mol
Exact Mass440.28
IUPAC Name3-[2,3-bis(trimethylsilyloxy)propyl]-5-dec-9-ynyloxolan-2-one
SMILESC#CCCCCCCCCC1CC(CC(CO[Si](C)(C)C)O[Si](C)(C)C)C(=O)O1
InChIInChI=1S/C23H44O4Si2/c1-8-9-10-11-12-13-14-15-16-21-17-20(23(24)26-21)18-22(27-29(5,6)7)19-25-28(2,3)4/h1,20-22H,9-19H2,2-7H3
InChIKeyHLXIGBXKGOXTIE-UHFFFAOYSA-N
XLogP6.13
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.77
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2,3-bis(trimethylsilyloxy)propyl]-5-dec-9-ynyloxolan-2-one?
The IUPAC name of 3-[2,3-bis(trimethylsilyloxy)propyl]-5-dec-9-ynyloxolan-2-one (CID 162820182) is 3-[2,3-bis(trimethylsilyloxy)propyl]-5-dec-9-ynyloxolan-2-one.
What is the SMILES notation for 3-[2,3-bis(trimethylsilyloxy)propyl]-5-dec-9-ynyloxolan-2-one?
The canonical SMILES for 3-[2,3-bis(trimethylsilyloxy)propyl]-5-dec-9-ynyloxolan-2-one is C#CCCCCCCCCC1CC(CC(CO[Si](C)(C)C)O[Si](C)(C)C)C(=O)O1.
What is the InChIKey of 3-[2,3-bis(trimethylsilyloxy)propyl]-5-dec-9-ynyloxolan-2-one?
The InChIKey is HLXIGBXKGOXTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O4Si2/c1-8-9-10-11-12-13-14-15-16-21-17-20(23(24)26-21)18-22(27-29(5,6)7)19-25-28(2,3)4/h1,20-22H,9-19H2,2-7H3.
What are the key properties of 3-[2,3-bis(trimethylsilyloxy)propyl]-5-dec-9-ynyloxolan-2-one?
3-[2,3-bis(trimethylsilyloxy)propyl]-5-dec-9-ynyloxolan-2-one has a molecular weight of 440.77 g/mol, XLogP of 6.13, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-bis(trimethylsilyloxy)propyl]-5-dec-9-ynyloxolan-2-one is sourced from PubChem (CID 162820182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).