3-trimethylsilylbut-3-en-1-ol

C7H16OSi — CID 12956609

IUPAC3-trimethylsilylbut-3-en-1-ol
SMILESC=C(CCO)[Si](C)(C)C
InChIInChI=1S/C7H16OSi/c1-7(5-6-8)9(2,3)4/h8H,1,5-6H2,2-4H3
InChIKeyJWMMCBVHDRHEDT-UHFFFAOYSA-N
MW144.29 g/mol
LogP1.80
Rot. Bonds3

About 3-trimethylsilylbut-3-en-1-ol

3-trimethylsilylbut-3-en-1-ol (PubChem CID 12956609) has the molecular formula C7H16OSi and a molecular weight of 144.29 g/mol. Its IUPAC name is 3-trimethylsilylbut-3-en-1-ol.

Molecular Properties

Compound Name3-trimethylsilylbut-3-en-1-ol
PubChem CID12956609
Molecular FormulaC7H16OSi
Molecular Weight144.29 g/mol
Exact Mass144.10
IUPAC Name3-trimethylsilylbut-3-en-1-ol
SMILESC=C(CCO)[Si](C)(C)C
InChIInChI=1S/C7H16OSi/c1-7(5-6-8)9(2,3)4/h8H,1,5-6H2,2-4H3
InChIKeyJWMMCBVHDRHEDT-UHFFFAOYSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.29
LogP ≤ 51.80
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 3-trimethylsilylbut-3-en-1-ol?
The IUPAC name of 3-trimethylsilylbut-3-en-1-ol (CID 12956609) is 3-trimethylsilylbut-3-en-1-ol.
What is the SMILES notation for 3-trimethylsilylbut-3-en-1-ol?
The canonical SMILES for 3-trimethylsilylbut-3-en-1-ol is C=C(CCO)[Si](C)(C)C.
What is the InChIKey of 3-trimethylsilylbut-3-en-1-ol?
The InChIKey is JWMMCBVHDRHEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OSi/c1-7(5-6-8)9(2,3)4/h8H,1,5-6H2,2-4H3.
What are the key properties of 3-trimethylsilylbut-3-en-1-ol?
3-trimethylsilylbut-3-en-1-ol has a molecular weight of 144.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilylbut-3-en-1-ol is sourced from PubChem (CID 12956609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).