(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yn-1-ol

C11H22O2Si — CID 15689854

IUPAC(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yn-1-ol
SMILESC#C[C@H](CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-7-10(8-9-12)13-14(5,6)11(2,3)4/h1,10,12H,8-9H2,2-6H3/t10-/m1/s1
InChIKeyONIYKYPRCHSKLR-SNVBAGLBSA-N
MW214.38 g/mol
LogP2.39
Rot. Bonds4

About (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yn-1-ol

(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yn-1-ol (PubChem CID 15689854) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yn-1-ol.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yn-1-ol
PubChem CID15689854
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yn-1-ol
SMILESC#C[C@H](CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-7-10(8-9-12)13-14(5,6)11(2,3)4/h1,10,12H,8-9H2,2-6H3/t10-/m1/s1
InChIKeyONIYKYPRCHSKLR-SNVBAGLBSA-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 (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yn-1-ol?
The IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yn-1-ol (CID 15689854) is (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yn-1-ol.
What is the SMILES notation for (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yn-1-ol?
The canonical SMILES for (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yn-1-ol is C#C[C@H](CCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yn-1-ol?
The InChIKey is ONIYKYPRCHSKLR-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-7-10(8-9-12)13-14(5,6)11(2,3)4/h1,10,12H,8-9H2,2-6H3/t10-/m1/s1.
What are the key properties of (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yn-1-ol?
(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yn-1-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 (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yn-1-ol is sourced from PubChem (CID 15689854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).