[4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentyl]-ethoxymethanol

C15H32O4Si — CID 90858237

IUPAC[4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentyl]-ethoxymethanol
SMILESCCOC(O)C1CC(O[Si](C)(C)C(C)(C)C)CC1CO
InChIInChI=1S/C15H32O4Si/c1-7-18-14(17)13-9-12(8-11(13)10-16)19-20(5,6)15(2,3)4/h11-14,16-17H,7-10H2,1-6H3
InChIKeyQKZMMSCYLCPEII-UHFFFAOYSA-N
MW304.50 g/mol
LogP2.75
Rot. Bonds6

About [4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentyl]-ethoxymethanol

[4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentyl]-ethoxymethanol (PubChem CID 90858237) has the molecular formula C15H32O4Si and a molecular weight of 304.50 g/mol. Its IUPAC name is [4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentyl]-ethoxymethanol.

Molecular Properties

Compound Name[4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentyl]-ethoxymethanol
PubChem CID90858237
Molecular FormulaC15H32O4Si
Molecular Weight304.50 g/mol
Exact Mass304.21
IUPAC Name[4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentyl]-ethoxymethanol
SMILESCCOC(O)C1CC(O[Si](C)(C)C(C)(C)C)CC1CO
InChIInChI=1S/C15H32O4Si/c1-7-18-14(17)13-9-12(8-11(13)10-16)19-20(5,6)15(2,3)4/h11-14,16-17H,7-10H2,1-6H3
InChIKeyQKZMMSCYLCPEII-UHFFFAOYSA-N
XLogP2.75
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentyl]-ethoxymethanol?
The IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentyl]-ethoxymethanol (CID 90858237) is [4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentyl]-ethoxymethanol.
What is the SMILES notation for [4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentyl]-ethoxymethanol?
The canonical SMILES for [4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentyl]-ethoxymethanol is CCOC(O)C1CC(O[Si](C)(C)C(C)(C)C)CC1CO.
What is the InChIKey of [4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentyl]-ethoxymethanol?
The InChIKey is QKZMMSCYLCPEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O4Si/c1-7-18-14(17)13-9-12(8-11(13)10-16)19-20(5,6)15(2,3)4/h11-14,16-17H,7-10H2,1-6H3.
What are the key properties of [4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentyl]-ethoxymethanol?
[4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentyl]-ethoxymethanol has a molecular weight of 304.50 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentyl]-ethoxymethanol is sourced from PubChem (CID 90858237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).