(E)-4-[dimethyl(phenyl)silyl]but-2-en-1-ol

C12H18OSi — CID 10058832

IUPAC(E)-4-[dimethyl(phenyl)silyl]but-2-en-1-ol
SMILESC[Si](C)(C/C=C/CO)c1ccccc1
InChIInChI=1S/C12H18OSi/c1-14(2,11-7-6-10-13)12-8-4-3-5-9-12/h3-9,13H,10-11H2,1-2H3/b7-6+
InChIKeyMOAICEPVRGPCJB-VOTSOKGWSA-N
MW206.36 g/mol
LogP2.15
Rot. Bonds4

About (E)-4-[dimethyl(phenyl)silyl]but-2-en-1-ol

(E)-4-[dimethyl(phenyl)silyl]but-2-en-1-ol (PubChem CID 10058832) has the molecular formula C12H18OSi and a molecular weight of 206.36 g/mol. Its IUPAC name is (E)-4-[dimethyl(phenyl)silyl]but-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-[dimethyl(phenyl)silyl]but-2-en-1-ol
PubChem CID10058832
Molecular FormulaC12H18OSi
Molecular Weight206.36 g/mol
Exact Mass206.11
IUPAC Name(E)-4-[dimethyl(phenyl)silyl]but-2-en-1-ol
SMILESC[Si](C)(C/C=C/CO)c1ccccc1
InChIInChI=1S/C12H18OSi/c1-14(2,11-7-6-10-13)12-8-4-3-5-9-12/h3-9,13H,10-11H2,1-2H3/b7-6+
InChIKeyMOAICEPVRGPCJB-VOTSOKGWSA-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 (E)-4-[dimethyl(phenyl)silyl]but-2-en-1-ol?
The IUPAC name of (E)-4-[dimethyl(phenyl)silyl]but-2-en-1-ol (CID 10058832) is (E)-4-[dimethyl(phenyl)silyl]but-2-en-1-ol.
What is the SMILES notation for (E)-4-[dimethyl(phenyl)silyl]but-2-en-1-ol?
The canonical SMILES for (E)-4-[dimethyl(phenyl)silyl]but-2-en-1-ol is C[Si](C)(C/C=C/CO)c1ccccc1.
What is the InChIKey of (E)-4-[dimethyl(phenyl)silyl]but-2-en-1-ol?
The InChIKey is MOAICEPVRGPCJB-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H18OSi/c1-14(2,11-7-6-10-13)12-8-4-3-5-9-12/h3-9,13H,10-11H2,1-2H3/b7-6+.
What are the key properties of (E)-4-[dimethyl(phenyl)silyl]but-2-en-1-ol?
(E)-4-[dimethyl(phenyl)silyl]but-2-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 (E)-4-[dimethyl(phenyl)silyl]but-2-en-1-ol is sourced from PubChem (CID 10058832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).