3-methyl-1-trimethylsilylbut-3-en-2-ol

C8H18OSi — CID 12892703

IUPAC3-methyl-1-trimethylsilylbut-3-en-2-ol
SMILESC=C(C)C(O)C[Si](C)(C)C
InChIInChI=1S/C8H18OSi/c1-7(2)8(9)6-10(3,4)5/h8-9H,1,6H2,2-5H3
InChIKeyNEENKQNVKNYADI-UHFFFAOYSA-N
MW158.32 g/mol
LogP2.26
Rot. Bonds3

About 3-methyl-1-trimethylsilylbut-3-en-2-ol

3-methyl-1-trimethylsilylbut-3-en-2-ol (PubChem CID 12892703) has the molecular formula C8H18OSi and a molecular weight of 158.32 g/mol. Its IUPAC name is 3-methyl-1-trimethylsilylbut-3-en-2-ol.

Molecular Properties

Compound Name3-methyl-1-trimethylsilylbut-3-en-2-ol
PubChem CID12892703
Molecular FormulaC8H18OSi
Molecular Weight158.32 g/mol
Exact Mass158.11
IUPAC Name3-methyl-1-trimethylsilylbut-3-en-2-ol
SMILESC=C(C)C(O)C[Si](C)(C)C
InChIInChI=1S/C8H18OSi/c1-7(2)8(9)6-10(3,4)5/h8-9H,1,6H2,2-5H3
InChIKeyNEENKQNVKNYADI-UHFFFAOYSA-N
XLogP2.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-methyl-1-trimethylsilylbut-3-en-2-ol?
The IUPAC name of 3-methyl-1-trimethylsilylbut-3-en-2-ol (CID 12892703) is 3-methyl-1-trimethylsilylbut-3-en-2-ol.
What is the SMILES notation for 3-methyl-1-trimethylsilylbut-3-en-2-ol?
The canonical SMILES for 3-methyl-1-trimethylsilylbut-3-en-2-ol is C=C(C)C(O)C[Si](C)(C)C.
What is the InChIKey of 3-methyl-1-trimethylsilylbut-3-en-2-ol?
The InChIKey is NEENKQNVKNYADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OSi/c1-7(2)8(9)6-10(3,4)5/h8-9H,1,6H2,2-5H3.
What are the key properties of 3-methyl-1-trimethylsilylbut-3-en-2-ol?
3-methyl-1-trimethylsilylbut-3-en-2-ol has a molecular weight of 158.32 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-trimethylsilylbut-3-en-2-ol is sourced from PubChem (CID 12892703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).