(2S)-4-tri(propan-2-yl)silylbut-3-yn-2-ol

C13H26OSi — CID 11701366

IUPAC(2S)-4-tri(propan-2-yl)silylbut-3-yn-2-ol
SMILESCC(C)[Si](C#C[C@H](C)O)(C(C)C)C(C)C
InChIInChI=1S/C13H26OSi/c1-10(2)15(11(3)4,12(5)6)9-8-13(7)14/h10-14H,1-7H3/t13-/m0/s1
InChIKeyQNNHBTLZLWTGEV-ZDUSSCGKSA-N
MW226.44 g/mol
LogP3.59
Rot. Bonds3

About (2S)-4-tri(propan-2-yl)silylbut-3-yn-2-ol

(2S)-4-tri(propan-2-yl)silylbut-3-yn-2-ol (PubChem CID 11701366) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is (2S)-4-tri(propan-2-yl)silylbut-3-yn-2-ol.

Molecular Properties

Compound Name(2S)-4-tri(propan-2-yl)silylbut-3-yn-2-ol
PubChem CID11701366
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Name(2S)-4-tri(propan-2-yl)silylbut-3-yn-2-ol
SMILESCC(C)[Si](C#C[C@H](C)O)(C(C)C)C(C)C
InChIInChI=1S/C13H26OSi/c1-10(2)15(11(3)4,12(5)6)9-8-13(7)14/h10-14H,1-7H3/t13-/m0/s1
InChIKeyQNNHBTLZLWTGEV-ZDUSSCGKSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (2S)-4-tri(propan-2-yl)silylbut-3-yn-2-ol?
The IUPAC name of (2S)-4-tri(propan-2-yl)silylbut-3-yn-2-ol (CID 11701366) is (2S)-4-tri(propan-2-yl)silylbut-3-yn-2-ol.
What is the SMILES notation for (2S)-4-tri(propan-2-yl)silylbut-3-yn-2-ol?
The canonical SMILES for (2S)-4-tri(propan-2-yl)silylbut-3-yn-2-ol is CC(C)[Si](C#C[C@H](C)O)(C(C)C)C(C)C.
What is the InChIKey of (2S)-4-tri(propan-2-yl)silylbut-3-yn-2-ol?
The InChIKey is QNNHBTLZLWTGEV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H26OSi/c1-10(2)15(11(3)4,12(5)6)9-8-13(7)14/h10-14H,1-7H3/t13-/m0/s1.
What are the key properties of (2S)-4-tri(propan-2-yl)silylbut-3-yn-2-ol?
(2S)-4-tri(propan-2-yl)silylbut-3-yn-2-ol has a molecular weight of 226.44 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-tri(propan-2-yl)silylbut-3-yn-2-ol is sourced from PubChem (CID 11701366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).