5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-ol

C11H22O2Si — CID 10242363

IUPAC5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-ol
SMILESC#CC(O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-7-10(12)8-9-13-14(5,6)11(2,3)4/h1,10,12H,8-9H2,2-6H3
InChIKeyINSPSHPXNANDPX-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.39
Rot. Bonds4

About 5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-ol

5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-ol (PubChem CID 10242363) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-ol.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-ol
PubChem CID10242363
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-ol
SMILESC#CC(O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-7-10(12)8-9-13-14(5,6)11(2,3)4/h1,10,12H,8-9H2,2-6H3
InChIKeyINSPSHPXNANDPX-UHFFFAOYSA-N
XLogP2.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-ol?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-ol (CID 10242363) is 5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-ol.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-ol?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-ol is C#CC(O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-ol?
The InChIKey is INSPSHPXNANDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-7-10(12)8-9-13-14(5,6)11(2,3)4/h1,10,12H,8-9H2,2-6H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-ol?
5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-ol has a molecular weight of 214.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-ol is sourced from PubChem (CID 10242363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).