1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol

C10H22O2Si — CID 10910595

IUPAC1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol
SMILESC=CC(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22O2Si/c1-7-9(11)8-12-13(5,6)10(2,3)4/h7,9,11H,1,8H2,2-6H3
InChIKeyCLVRTMCOQVBKTQ-UHFFFAOYSA-N
MW202.37 g/mol
LogP2.56
Rot. Bonds4

About 1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol

1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol (PubChem CID 10910595) has the molecular formula C10H22O2Si and a molecular weight of 202.37 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol
PubChem CID10910595
Molecular FormulaC10H22O2Si
Molecular Weight202.37 g/mol
Exact Mass202.14
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol
SMILESC=CC(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22O2Si/c1-7-9(11)8-12-13(5,6)10(2,3)4/h7,9,11H,1,8H2,2-6H3
InChIKeyCLVRTMCOQVBKTQ-UHFFFAOYSA-N
XLogP2.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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]oxybut-3-en-2-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol (CID 10910595) is 1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol is C=CC(O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol?
The InChIKey is CLVRTMCOQVBKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2Si/c1-7-9(11)8-12-13(5,6)10(2,3)4/h7,9,11H,1,8H2,2-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol?
1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol has a molecular weight of 202.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol is sourced from PubChem (CID 10910595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).