(E)-3-methyl-4-trimethylsilylbut-3-en-1-ol

C8H18OSi — CID 6381701

IUPAC(E)-3-methyl-4-trimethylsilylbut-3-en-1-ol
SMILESC/C(=C\[Si](C)(C)C)CCO
InChIInChI=1S/C8H18OSi/c1-8(5-6-9)7-10(2,3)4/h7,9H,5-6H2,1-4H3/b8-7+
InChIKeyATHCTKZZAVASAB-BQYQJAHWSA-N
MW158.32 g/mol
LogP2.19
Rot. Bonds3

About (E)-3-methyl-4-trimethylsilylbut-3-en-1-ol

(E)-3-methyl-4-trimethylsilylbut-3-en-1-ol (PubChem CID 6381701) has the molecular formula C8H18OSi and a molecular weight of 158.32 g/mol. Its IUPAC name is (E)-3-methyl-4-trimethylsilylbut-3-en-1-ol.

Molecular Properties

Compound Name(E)-3-methyl-4-trimethylsilylbut-3-en-1-ol
PubChem CID6381701
Molecular FormulaC8H18OSi
Molecular Weight158.32 g/mol
Exact Mass158.11
IUPAC Name(E)-3-methyl-4-trimethylsilylbut-3-en-1-ol
SMILESC/C(=C\[Si](C)(C)C)CCO
InChIInChI=1S/C8H18OSi/c1-8(5-6-9)7-10(2,3)4/h7,9H,5-6H2,1-4H3/b8-7+
InChIKeyATHCTKZZAVASAB-BQYQJAHWSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-4-trimethylsilylbut-3-en-1-ol?
The IUPAC name of (E)-3-methyl-4-trimethylsilylbut-3-en-1-ol (CID 6381701) is (E)-3-methyl-4-trimethylsilylbut-3-en-1-ol.
What is the SMILES notation for (E)-3-methyl-4-trimethylsilylbut-3-en-1-ol?
The canonical SMILES for (E)-3-methyl-4-trimethylsilylbut-3-en-1-ol is C/C(=C\[Si](C)(C)C)CCO.
What is the InChIKey of (E)-3-methyl-4-trimethylsilylbut-3-en-1-ol?
The InChIKey is ATHCTKZZAVASAB-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H18OSi/c1-8(5-6-9)7-10(2,3)4/h7,9H,5-6H2,1-4H3/b8-7+.
What are the key properties of (E)-3-methyl-4-trimethylsilylbut-3-en-1-ol?
(E)-3-methyl-4-trimethylsilylbut-3-en-1-ol has a molecular weight of 158.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-4-trimethylsilylbut-3-en-1-ol is sourced from PubChem (CID 6381701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).