3-(trimethylsilylmethyl)but-3-ene-1,2-diol

C8H18O2Si — CID 12022124

IUPAC3-(trimethylsilylmethyl)but-3-ene-1,2-diol
SMILESC=C(C[Si](C)(C)C)C(O)CO
InChIInChI=1S/C8H18O2Si/c1-7(8(10)5-9)6-11(2,3)4/h8-10H,1,5-6H2,2-4H3
InChIKeyCQQXUYSZICTYKG-UHFFFAOYSA-N
MW174.32 g/mol
LogP1.23
Rot. Bonds4

About 3-(trimethylsilylmethyl)but-3-ene-1,2-diol

3-(trimethylsilylmethyl)but-3-ene-1,2-diol (PubChem CID 12022124) has the molecular formula C8H18O2Si and a molecular weight of 174.32 g/mol. Its IUPAC name is 3-(trimethylsilylmethyl)but-3-ene-1,2-diol.

Molecular Properties

Compound Name3-(trimethylsilylmethyl)but-3-ene-1,2-diol
PubChem CID12022124
Molecular FormulaC8H18O2Si
Molecular Weight174.32 g/mol
Exact Mass174.11
IUPAC Name3-(trimethylsilylmethyl)but-3-ene-1,2-diol
SMILESC=C(C[Si](C)(C)C)C(O)CO
InChIInChI=1S/C8H18O2Si/c1-7(8(10)5-9)6-11(2,3)4/h8-10H,1,5-6H2,2-4H3
InChIKeyCQQXUYSZICTYKG-UHFFFAOYSA-N
XLogP1.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
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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Related Compounds

1-[(Tert-butyldimethylsilyl)oxy]but-3-en-2-ol
CID 10910595
(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol
CID 10900062
(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,6-trimethylhepta-3,4-dien-2-ol
CID 102376965
(R)-1-(tert-butyldimethylsilanyloxy)-3-buten-2-ol
CID 14185009
(2S)-4-trimethylsilylpent-4-ene-1,2-diol
CID 5325539
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol
CID 11127690
(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol
CID 11217933
(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-ol
CID 11458884
3-Buten-2-ol, 3-methyl-1-(trimethylsilyl)-
CID 12892703
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol
CID 14175294
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol
CID 44556792
(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-ene-2,3-diol
CID 57379881

Frequently Asked Questions

What is the IUPAC name of 3-(trimethylsilylmethyl)but-3-ene-1,2-diol?
The IUPAC name of 3-(trimethylsilylmethyl)but-3-ene-1,2-diol (CID 12022124) is 3-(trimethylsilylmethyl)but-3-ene-1,2-diol.
What is the SMILES notation for 3-(trimethylsilylmethyl)but-3-ene-1,2-diol?
The canonical SMILES for 3-(trimethylsilylmethyl)but-3-ene-1,2-diol is C=C(C[Si](C)(C)C)C(O)CO.
What is the InChIKey of 3-(trimethylsilylmethyl)but-3-ene-1,2-diol?
The InChIKey is CQQXUYSZICTYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2Si/c1-7(8(10)5-9)6-11(2,3)4/h8-10H,1,5-6H2,2-4H3.
What are the key properties of 3-(trimethylsilylmethyl)but-3-ene-1,2-diol?
3-(trimethylsilylmethyl)but-3-ene-1,2-diol has a molecular weight of 174.32 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trimethylsilylmethyl)but-3-ene-1,2-diol is sourced from PubChem (CID 12022124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).