[5-[5-dec-2-ynyl-5-(hydroxymethyl)-2-(3-trimethylsilylprop-2-ynyl)oxolan-2-yl]oxolan-2-yl]methanol

C26H44O4Si — CID 67621230

IUPAC[5-[5-dec-2-ynyl-5-(hydroxymethyl)-2-(3-trimethylsilylprop-2-ynyl)oxolan-2-yl]oxolan-2-yl]methanol
SMILESCCCCCCCC#CCC1(CO)CCC(CC#C[Si](C)(C)C)(C2CCC(CO)O2)O1
InChIInChI=1S/C26H44O4Si/c1-5-6-7-8-9-10-11-12-16-25(22-28)18-19-26(30-25,17-13-20-31(2,3)4)24-15-14-23(21-27)29-24/h23-24,27-28H,5-10,14-19,21-22H2,1-4H3
InChIKeyYKPFBDUQWDSHGB-UHFFFAOYSA-N
MW448.72 g/mol
LogP4.83
Rot. Bonds10

About [5-[5-dec-2-ynyl-5-(hydroxymethyl)-2-(3-trimethylsilylprop-2-ynyl)oxolan-2-yl]oxolan-2-yl]methanol

[5-[5-dec-2-ynyl-5-(hydroxymethyl)-2-(3-trimethylsilylprop-2-ynyl)oxolan-2-yl]oxolan-2-yl]methanol (PubChem CID 67621230) has the molecular formula C26H44O4Si and a molecular weight of 448.72 g/mol. Its IUPAC name is [5-[5-dec-2-ynyl-5-(hydroxymethyl)-2-(3-trimethylsilylprop-2-ynyl)oxolan-2-yl]oxolan-2-yl]methanol.

Molecular Properties

Compound Name[5-[5-dec-2-ynyl-5-(hydroxymethyl)-2-(3-trimethylsilylprop-2-ynyl)oxolan-2-yl]oxolan-2-yl]methanol
PubChem CID67621230
Molecular FormulaC26H44O4Si
Molecular Weight448.72 g/mol
Exact Mass448.30
IUPAC Name[5-[5-dec-2-ynyl-5-(hydroxymethyl)-2-(3-trimethylsilylprop-2-ynyl)oxolan-2-yl]oxolan-2-yl]methanol
SMILESCCCCCCCC#CCC1(CO)CCC(CC#C[Si](C)(C)C)(C2CCC(CO)O2)O1
InChIInChI=1S/C26H44O4Si/c1-5-6-7-8-9-10-11-12-16-25(22-28)18-19-26(30-25,17-13-20-31(2,3)4)24-15-14-23(21-27)29-24/h23-24,27-28H,5-10,14-19,21-22H2,1-4H3
InChIKeyYKPFBDUQWDSHGB-UHFFFAOYSA-N
XLogP4.83
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.72
LogP ≤ 54.83
H-Bond Donors ≤ 52
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 [5-[5-dec-2-ynyl-5-(hydroxymethyl)-2-(3-trimethylsilylprop-2-ynyl)oxolan-2-yl]oxolan-2-yl]methanol?
The IUPAC name of [5-[5-dec-2-ynyl-5-(hydroxymethyl)-2-(3-trimethylsilylprop-2-ynyl)oxolan-2-yl]oxolan-2-yl]methanol (CID 67621230) is [5-[5-dec-2-ynyl-5-(hydroxymethyl)-2-(3-trimethylsilylprop-2-ynyl)oxolan-2-yl]oxolan-2-yl]methanol.
What is the SMILES notation for [5-[5-dec-2-ynyl-5-(hydroxymethyl)-2-(3-trimethylsilylprop-2-ynyl)oxolan-2-yl]oxolan-2-yl]methanol?
The canonical SMILES for [5-[5-dec-2-ynyl-5-(hydroxymethyl)-2-(3-trimethylsilylprop-2-ynyl)oxolan-2-yl]oxolan-2-yl]methanol is CCCCCCCC#CCC1(CO)CCC(CC#C[Si](C)(C)C)(C2CCC(CO)O2)O1.
What is the InChIKey of [5-[5-dec-2-ynyl-5-(hydroxymethyl)-2-(3-trimethylsilylprop-2-ynyl)oxolan-2-yl]oxolan-2-yl]methanol?
The InChIKey is YKPFBDUQWDSHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44O4Si/c1-5-6-7-8-9-10-11-12-16-25(22-28)18-19-26(30-25,17-13-20-31(2,3)4)24-15-14-23(21-27)29-24/h23-24,27-28H,5-10,14-19,21-22H2,1-4H3.
What are the key properties of [5-[5-dec-2-ynyl-5-(hydroxymethyl)-2-(3-trimethylsilylprop-2-ynyl)oxolan-2-yl]oxolan-2-yl]methanol?
[5-[5-dec-2-ynyl-5-(hydroxymethyl)-2-(3-trimethylsilylprop-2-ynyl)oxolan-2-yl]oxolan-2-yl]methanol has a molecular weight of 448.72 g/mol, XLogP of 4.83, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-dec-2-ynyl-5-(hydroxymethyl)-2-(3-trimethylsilylprop-2-ynyl)oxolan-2-yl]oxolan-2-yl]methanol is sourced from PubChem (CID 67621230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).