1-[tert-butyl(dimethyl)silyl]prop-2-en-1-ol

C9H20OSi — CID 552811

IUPAC1-[tert-butyl(dimethyl)silyl]prop-2-en-1-ol
SMILESC=CC(O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H20OSi/c1-7-8(10)11(5,6)9(2,3)4/h7-8,10H,1H2,2-6H3
InChIKeyMWZLYOLVALBFGB-UHFFFAOYSA-N
MW172.34 g/mol
LogP2.58
Rot. Bonds2

About 1-[tert-butyl(dimethyl)silyl]prop-2-en-1-ol

1-[tert-butyl(dimethyl)silyl]prop-2-en-1-ol (PubChem CID 552811) has the molecular formula C9H20OSi and a molecular weight of 172.34 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]prop-2-en-1-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]prop-2-en-1-ol
PubChem CID552811
Molecular FormulaC9H20OSi
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name1-[tert-butyl(dimethyl)silyl]prop-2-en-1-ol
SMILESC=CC(O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H20OSi/c1-7-8(10)11(5,6)9(2,3)4/h7-8,10H,1H2,2-6H3
InChIKeyMWZLYOLVALBFGB-UHFFFAOYSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 52.58
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 1-[tert-butyl(dimethyl)silyl]prop-2-en-1-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]prop-2-en-1-ol (CID 552811) is 1-[tert-butyl(dimethyl)silyl]prop-2-en-1-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]prop-2-en-1-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]prop-2-en-1-ol is C=CC(O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]prop-2-en-1-ol?
The InChIKey is MWZLYOLVALBFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OSi/c1-7-8(10)11(5,6)9(2,3)4/h7-8,10H,1H2,2-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]prop-2-en-1-ol?
1-[tert-butyl(dimethyl)silyl]prop-2-en-1-ol has a molecular weight of 172.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]prop-2-en-1-ol is sourced from PubChem (CID 552811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).