[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]methanol

C16H34O3Si — CID 10709517

IUPAC[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]methanol
SMILESCCCCC[C@@H]1O[C@@H](CO)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O3Si/c1-7-8-9-10-14-15(11-13(12-17)18-14)19-20(5,6)16(2,3)4/h13-15,17H,7-12H2,1-6H3/t13-,14+,15+/m1/s1
InChIKeyGKWPFDUPCAHTFT-ILXRZTDVSA-N
MW302.53 g/mol
LogP4.11
Rot. Bonds7

About [(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]methanol

[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]methanol (PubChem CID 10709517) has the molecular formula C16H34O3Si and a molecular weight of 302.53 g/mol. Its IUPAC name is [(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]methanol
PubChem CID10709517
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Name[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]methanol
SMILESCCCCC[C@@H]1O[C@@H](CO)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O3Si/c1-7-8-9-10-14-15(11-13(12-17)18-14)19-20(5,6)16(2,3)4/h13-15,17H,7-12H2,1-6H3/t13-,14+,15+/m1/s1
InChIKeyGKWPFDUPCAHTFT-ILXRZTDVSA-N
XLogP4.11
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]methanol?
The IUPAC name of [(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]methanol (CID 10709517) is [(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]methanol.
What is the SMILES notation for [(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]methanol?
The canonical SMILES for [(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]methanol is CCCCC[C@@H]1O[C@@H](CO)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]methanol?
The InChIKey is GKWPFDUPCAHTFT-ILXRZTDVSA-N. The full InChI is InChI=1S/C16H34O3Si/c1-7-8-9-10-14-15(11-13(12-17)18-14)19-20(5,6)16(2,3)4/h13-15,17H,7-12H2,1-6H3/t13-,14+,15+/m1/s1.
What are the key properties of [(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]methanol?
[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]methanol has a molecular weight of 302.53 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]methanol is sourced from PubChem (CID 10709517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).