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

C16H28O4Si — CID 67621235

IUPAC[5-[5-(hydroxymethyl)-2-(3-trimethylsilylprop-2-ynyl)oxolan-2-yl]oxolan-2-yl]methanol
SMILESC[Si](C)(C)C#CCC1(C2CCC(CO)O2)CCC(CO)O1
InChIInChI=1S/C16H28O4Si/c1-21(2,3)10-4-8-16(9-7-14(12-18)20-16)15-6-5-13(11-17)19-15/h13-15,17-18H,5-9,11-12H2,1-3H3
InChIKeyLNILAKJWFOMXNR-UHFFFAOYSA-N
MW312.48 g/mol
LogP1.71
Rot. Bonds4

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

[5-[5-(hydroxymethyl)-2-(3-trimethylsilylprop-2-ynyl)oxolan-2-yl]oxolan-2-yl]methanol (PubChem CID 67621235) has the molecular formula C16H28O4Si and a molecular weight of 312.48 g/mol. Its IUPAC name is [5-[5-(hydroxymethyl)-2-(3-trimethylsilylprop-2-ynyl)oxolan-2-yl]oxolan-2-yl]methanol.

Molecular Properties

Compound Name[5-[5-(hydroxymethyl)-2-(3-trimethylsilylprop-2-ynyl)oxolan-2-yl]oxolan-2-yl]methanol
PubChem CID67621235
Molecular FormulaC16H28O4Si
Molecular Weight312.48 g/mol
Exact Mass312.18
IUPAC Name[5-[5-(hydroxymethyl)-2-(3-trimethylsilylprop-2-ynyl)oxolan-2-yl]oxolan-2-yl]methanol
SMILESC[Si](C)(C)C#CCC1(C2CCC(CO)O2)CCC(CO)O1
InChIInChI=1S/C16H28O4Si/c1-21(2,3)10-4-8-16(9-7-14(12-18)20-16)15-6-5-13(11-17)19-15/h13-15,17-18H,5-9,11-12H2,1-3H3
InChIKeyLNILAKJWFOMXNR-UHFFFAOYSA-N
XLogP1.71
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(hydroxymethyl)-2-(3-trimethylsilylprop-2-ynyl)oxolan-2-yl]oxolan-2-yl]methanol?
The IUPAC name of [5-[5-(hydroxymethyl)-2-(3-trimethylsilylprop-2-ynyl)oxolan-2-yl]oxolan-2-yl]methanol (CID 67621235) is [5-[5-(hydroxymethyl)-2-(3-trimethylsilylprop-2-ynyl)oxolan-2-yl]oxolan-2-yl]methanol.
What is the SMILES notation for [5-[5-(hydroxymethyl)-2-(3-trimethylsilylprop-2-ynyl)oxolan-2-yl]oxolan-2-yl]methanol?
The canonical SMILES for [5-[5-(hydroxymethyl)-2-(3-trimethylsilylprop-2-ynyl)oxolan-2-yl]oxolan-2-yl]methanol is C[Si](C)(C)C#CCC1(C2CCC(CO)O2)CCC(CO)O1.
What is the InChIKey of [5-[5-(hydroxymethyl)-2-(3-trimethylsilylprop-2-ynyl)oxolan-2-yl]oxolan-2-yl]methanol?
The InChIKey is LNILAKJWFOMXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4Si/c1-21(2,3)10-4-8-16(9-7-14(12-18)20-16)15-6-5-13(11-17)19-15/h13-15,17-18H,5-9,11-12H2,1-3H3.
What are the key properties of [5-[5-(hydroxymethyl)-2-(3-trimethylsilylprop-2-ynyl)oxolan-2-yl]oxolan-2-yl]methanol?
[5-[5-(hydroxymethyl)-2-(3-trimethylsilylprop-2-ynyl)oxolan-2-yl]oxolan-2-yl]methanol has a molecular weight of 312.48 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-(hydroxymethyl)-2-(3-trimethylsilylprop-2-ynyl)oxolan-2-yl]oxolan-2-yl]methanol is sourced from PubChem (CID 67621235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).