3-trimethylsilylbut-3-en-2-ol

C7H16OSi — CID 10975611

IUPAC3-trimethylsilylbut-3-en-2-ol
SMILESC=C(C(C)O)[Si](C)(C)C
InChIInChI=1S/C7H16OSi/c1-6(8)7(2)9(3,4)5/h6,8H,2H2,1,3-5H3
InChIKeyMCXHBOQWMCKXBM-UHFFFAOYSA-N
MW144.29 g/mol
LogP1.80
Rot. Bonds2

About 3-trimethylsilylbut-3-en-2-ol

3-trimethylsilylbut-3-en-2-ol (PubChem CID 10975611) has the molecular formula C7H16OSi and a molecular weight of 144.29 g/mol. Its IUPAC name is 3-trimethylsilylbut-3-en-2-ol.

Molecular Properties

Compound Name3-trimethylsilylbut-3-en-2-ol
PubChem CID10975611
Molecular FormulaC7H16OSi
Molecular Weight144.29 g/mol
Exact Mass144.10
IUPAC Name3-trimethylsilylbut-3-en-2-ol
SMILESC=C(C(C)O)[Si](C)(C)C
InChIInChI=1S/C7H16OSi/c1-6(8)7(2)9(3,4)5/h6,8H,2H2,1,3-5H3
InChIKeyMCXHBOQWMCKXBM-UHFFFAOYSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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-2-ol?
The IUPAC name of 3-trimethylsilylbut-3-en-2-ol (CID 10975611) is 3-trimethylsilylbut-3-en-2-ol.
What is the SMILES notation for 3-trimethylsilylbut-3-en-2-ol?
The canonical SMILES for 3-trimethylsilylbut-3-en-2-ol is C=C(C(C)O)[Si](C)(C)C.
What is the InChIKey of 3-trimethylsilylbut-3-en-2-ol?
The InChIKey is MCXHBOQWMCKXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OSi/c1-6(8)7(2)9(3,4)5/h6,8H,2H2,1,3-5H3.
What are the key properties of 3-trimethylsilylbut-3-en-2-ol?
3-trimethylsilylbut-3-en-2-ol has a molecular weight of 144.29 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilylbut-3-en-2-ol is sourced from PubChem (CID 10975611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).