(2S)-2-[dimethyl(phenyl)silyl]but-3-en-1-ol

C12H18OSi — CID 134955377

IUPAC(2S)-2-[dimethyl(phenyl)silyl]but-3-en-1-ol
SMILESC=C[C@@H](CO)[Si](C)(C)c1ccccc1
InChIInChI=1S/C12H18OSi/c1-4-11(10-13)14(2,3)12-8-6-5-7-9-12/h4-9,11,13H,1,10H2,2-3H3/t11-/m0/s1
InChIKeyLCYBWQVZBAMICD-NSHDSACASA-N
MW206.36 g/mol
LogP2.15
Rot. Bonds4

About (2S)-2-[dimethyl(phenyl)silyl]but-3-en-1-ol

(2S)-2-[dimethyl(phenyl)silyl]but-3-en-1-ol (PubChem CID 134955377) has the molecular formula C12H18OSi and a molecular weight of 206.36 g/mol. Its IUPAC name is (2S)-2-[dimethyl(phenyl)silyl]but-3-en-1-ol.

Molecular Properties

Compound Name(2S)-2-[dimethyl(phenyl)silyl]but-3-en-1-ol
PubChem CID134955377
Molecular FormulaC12H18OSi
Molecular Weight206.36 g/mol
Exact Mass206.11
IUPAC Name(2S)-2-[dimethyl(phenyl)silyl]but-3-en-1-ol
SMILESC=C[C@@H](CO)[Si](C)(C)c1ccccc1
InChIInChI=1S/C12H18OSi/c1-4-11(10-13)14(2,3)12-8-6-5-7-9-12/h4-9,11,13H,1,10H2,2-3H3/t11-/m0/s1
InChIKeyLCYBWQVZBAMICD-NSHDSACASA-N
XLogP2.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.36
LogP ≤ 52.15
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 (2S)-2-[dimethyl(phenyl)silyl]but-3-en-1-ol?
The IUPAC name of (2S)-2-[dimethyl(phenyl)silyl]but-3-en-1-ol (CID 134955377) is (2S)-2-[dimethyl(phenyl)silyl]but-3-en-1-ol.
What is the SMILES notation for (2S)-2-[dimethyl(phenyl)silyl]but-3-en-1-ol?
The canonical SMILES for (2S)-2-[dimethyl(phenyl)silyl]but-3-en-1-ol is C=C[C@@H](CO)[Si](C)(C)c1ccccc1.
What is the InChIKey of (2S)-2-[dimethyl(phenyl)silyl]but-3-en-1-ol?
The InChIKey is LCYBWQVZBAMICD-NSHDSACASA-N. The full InChI is InChI=1S/C12H18OSi/c1-4-11(10-13)14(2,3)12-8-6-5-7-9-12/h4-9,11,13H,1,10H2,2-3H3/t11-/m0/s1.
What are the key properties of (2S)-2-[dimethyl(phenyl)silyl]but-3-en-1-ol?
(2S)-2-[dimethyl(phenyl)silyl]but-3-en-1-ol has a molecular weight of 206.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[dimethyl(phenyl)silyl]but-3-en-1-ol is sourced from PubChem (CID 134955377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).