(E)-4-tri(propan-2-yl)silyloxybut-2-en-1-ol

C13H28O2Si — CID 44543298

IUPAC(E)-4-tri(propan-2-yl)silyloxybut-2-en-1-ol
SMILESCC(C)[Si](OC/C=C/CO)(C(C)C)C(C)C
InChIInChI=1S/C13H28O2Si/c1-11(2)16(12(3)4,13(5)6)15-10-8-7-9-14/h7-8,11-14H,9-10H2,1-6H3/b8-7+
InChIKeyYHGJZZMKZFBVOF-BQYQJAHWSA-N
MW244.45 g/mol
LogP3.73
Rot. Bonds7

About (E)-4-tri(propan-2-yl)silyloxybut-2-en-1-ol

(E)-4-tri(propan-2-yl)silyloxybut-2-en-1-ol (PubChem CID 44543298) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is (E)-4-tri(propan-2-yl)silyloxybut-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-tri(propan-2-yl)silyloxybut-2-en-1-ol
PubChem CID44543298
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name(E)-4-tri(propan-2-yl)silyloxybut-2-en-1-ol
SMILESCC(C)[Si](OC/C=C/CO)(C(C)C)C(C)C
InChIInChI=1S/C13H28O2Si/c1-11(2)16(12(3)4,13(5)6)15-10-8-7-9-14/h7-8,11-14H,9-10H2,1-6H3/b8-7+
InChIKeyYHGJZZMKZFBVOF-BQYQJAHWSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-tri(propan-2-yl)silyloxybut-2-en-1-ol?
The IUPAC name of (E)-4-tri(propan-2-yl)silyloxybut-2-en-1-ol (CID 44543298) is (E)-4-tri(propan-2-yl)silyloxybut-2-en-1-ol.
What is the SMILES notation for (E)-4-tri(propan-2-yl)silyloxybut-2-en-1-ol?
The canonical SMILES for (E)-4-tri(propan-2-yl)silyloxybut-2-en-1-ol is CC(C)[Si](OC/C=C/CO)(C(C)C)C(C)C.
What is the InChIKey of (E)-4-tri(propan-2-yl)silyloxybut-2-en-1-ol?
The InChIKey is YHGJZZMKZFBVOF-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-11(2)16(12(3)4,13(5)6)15-10-8-7-9-14/h7-8,11-14H,9-10H2,1-6H3/b8-7+.
What are the key properties of (E)-4-tri(propan-2-yl)silyloxybut-2-en-1-ol?
(E)-4-tri(propan-2-yl)silyloxybut-2-en-1-ol has a molecular weight of 244.45 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-tri(propan-2-yl)silyloxybut-2-en-1-ol is sourced from PubChem (CID 44543298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).