(E)-3-[dimethyl(phenyl)silyl]hex-3-en-2-ol

C14H22OSi — CID 71745473

IUPAC(E)-3-[dimethyl(phenyl)silyl]hex-3-en-2-ol
SMILESCC/C=C(\C(C)O)[Si](C)(C)c1ccccc1
InChIInChI=1S/C14H22OSi/c1-5-9-14(12(2)15)16(3,4)13-10-7-6-8-11-13/h6-12,15H,5H2,1-4H3/b14-9+
InChIKeyPCUMFLNNKAIOJO-NTEUORMPSA-N
MW234.41 g/mol
LogP2.86
Rot. Bonds4

About (E)-3-[dimethyl(phenyl)silyl]hex-3-en-2-ol

(E)-3-[dimethyl(phenyl)silyl]hex-3-en-2-ol (PubChem CID 71745473) has the molecular formula C14H22OSi and a molecular weight of 234.41 g/mol. Its IUPAC name is (E)-3-[dimethyl(phenyl)silyl]hex-3-en-2-ol.

Molecular Properties

Compound Name(E)-3-[dimethyl(phenyl)silyl]hex-3-en-2-ol
PubChem CID71745473
Molecular FormulaC14H22OSi
Molecular Weight234.41 g/mol
Exact Mass234.14
IUPAC Name(E)-3-[dimethyl(phenyl)silyl]hex-3-en-2-ol
SMILESCC/C=C(\C(C)O)[Si](C)(C)c1ccccc1
InChIInChI=1S/C14H22OSi/c1-5-9-14(12(2)15)16(3,4)13-10-7-6-8-11-13/h6-12,15H,5H2,1-4H3/b14-9+
InChIKeyPCUMFLNNKAIOJO-NTEUORMPSA-N
XLogP2.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[dimethyl(phenyl)silyl]hex-3-en-2-ol?
The IUPAC name of (E)-3-[dimethyl(phenyl)silyl]hex-3-en-2-ol (CID 71745473) is (E)-3-[dimethyl(phenyl)silyl]hex-3-en-2-ol.
What is the SMILES notation for (E)-3-[dimethyl(phenyl)silyl]hex-3-en-2-ol?
The canonical SMILES for (E)-3-[dimethyl(phenyl)silyl]hex-3-en-2-ol is CC/C=C(\C(C)O)[Si](C)(C)c1ccccc1.
What is the InChIKey of (E)-3-[dimethyl(phenyl)silyl]hex-3-en-2-ol?
The InChIKey is PCUMFLNNKAIOJO-NTEUORMPSA-N. The full InChI is InChI=1S/C14H22OSi/c1-5-9-14(12(2)15)16(3,4)13-10-7-6-8-11-13/h6-12,15H,5H2,1-4H3/b14-9+.
What are the key properties of (E)-3-[dimethyl(phenyl)silyl]hex-3-en-2-ol?
(E)-3-[dimethyl(phenyl)silyl]hex-3-en-2-ol has a molecular weight of 234.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[dimethyl(phenyl)silyl]hex-3-en-2-ol is sourced from PubChem (CID 71745473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).