(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yne-1,2-diol

C11H22O3Si — CID 134859840

IUPAC(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yne-1,2-diol
SMILESC#C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO
InChIInChI=1S/C11H22O3Si/c1-7-10(9(13)8-12)14-15(5,6)11(2,3)4/h1,9-10,12-13H,8H2,2-6H3/t9-,10+/m1/s1
InChIKeyZVFZLZJALMHRTR-ZJUUUORDSA-N
MW230.38 g/mol
LogP1.36
Rot. Bonds4

About (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yne-1,2-diol

(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yne-1,2-diol (PubChem CID 134859840) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yne-1,2-diol.

Molecular Properties

Compound Name(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yne-1,2-diol
PubChem CID134859840
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Name(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yne-1,2-diol
SMILESC#C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO
InChIInChI=1S/C11H22O3Si/c1-7-10(9(13)8-12)14-15(5,6)11(2,3)4/h1,9-10,12-13H,8H2,2-6H3/t9-,10+/m1/s1
InChIKeyZVFZLZJALMHRTR-ZJUUUORDSA-N
XLogP1.36
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yne-1,2-diol?
The IUPAC name of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yne-1,2-diol (CID 134859840) is (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yne-1,2-diol.
What is the SMILES notation for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yne-1,2-diol?
The canonical SMILES for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yne-1,2-diol is C#C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO.
What is the InChIKey of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yne-1,2-diol?
The InChIKey is ZVFZLZJALMHRTR-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-7-10(9(13)8-12)14-15(5,6)11(2,3)4/h1,9-10,12-13H,8H2,2-6H3/t9-,10+/m1/s1.
What are the key properties of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yne-1,2-diol?
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yne-1,2-diol has a molecular weight of 230.38 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yne-1,2-diol is sourced from PubChem (CID 134859840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).