(E,2S,3R)-2-benzyl-3-[dimethyl(phenyl)silyl]hex-4-en-1-ol

C21H28OSi — CID 11141904

IUPAC(E,2S,3R)-2-benzyl-3-[dimethyl(phenyl)silyl]hex-4-en-1-ol
SMILESC/C=C/[C@H]([C@H](CO)Cc1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H28OSi/c1-4-11-21(23(2,3)20-14-9-6-10-15-20)19(17-22)16-18-12-7-5-8-13-18/h4-15,19,21-22H,16-17H2,1-3H3/b11-4+/t19-,21+/m0/s1
InChIKeyALLTUSJRAKCDQF-YTSJMYBASA-N
MW324.54 g/mol
LogP4.40
Rot. Bonds7

About (E,2S,3R)-2-benzyl-3-[dimethyl(phenyl)silyl]hex-4-en-1-ol

(E,2S,3R)-2-benzyl-3-[dimethyl(phenyl)silyl]hex-4-en-1-ol (PubChem CID 11141904) has the molecular formula C21H28OSi and a molecular weight of 324.54 g/mol. Its IUPAC name is (E,2S,3R)-2-benzyl-3-[dimethyl(phenyl)silyl]hex-4-en-1-ol.

Molecular Properties

Compound Name(E,2S,3R)-2-benzyl-3-[dimethyl(phenyl)silyl]hex-4-en-1-ol
PubChem CID11141904
Molecular FormulaC21H28OSi
Molecular Weight324.54 g/mol
Exact Mass324.19
IUPAC Name(E,2S,3R)-2-benzyl-3-[dimethyl(phenyl)silyl]hex-4-en-1-ol
SMILESC/C=C/[C@H]([C@H](CO)Cc1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H28OSi/c1-4-11-21(23(2,3)20-14-9-6-10-15-20)19(17-22)16-18-12-7-5-8-13-18/h4-15,19,21-22H,16-17H2,1-3H3/b11-4+/t19-,21+/m0/s1
InChIKeyALLTUSJRAKCDQF-YTSJMYBASA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.54
LogP ≤ 54.40
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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Related Compounds

dimethyl-[(Z,3S)-2-methylhex-4-en-3-yl]-phenylsilane
CID 52921003
(E)-1-phenylpent-3-en-2-ol
CID 15211245
(2R)-2-benzyl-3-methylpentan-1-ol
CID 15214035
dimethyl-[(Z)-6-methylhept-2-en-4-yl]-phenylsilane
CID 15353782
[(3R,4S)-4-methoxy-5-phenylpent-1-en-3-yl]-dimethyl-phenylsilane
CID 102436050
(2S,3S)-3-benzylbutane-1,2,4-triol
CID 13198346
(2S)-2-[dimethyl(phenyl)silyl]but-3-en-1-ol
CID 134955377
2-phenyl-1-trimethylsilylethanethiol
CID 3849322
(E,2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]hex-4-enoic acid
CID 15049425
methyl (E,2S,3R)-3-[dimethyl(phenyl)silyl]-2-(methoxycarbonylamino)hex-4-enoate
CID 10382333
methyl (E,2S,3R)-2-acetamido-3-[dimethyl(phenyl)silyl]hex-4-enoate
CID 10358596
(Z)-2-benzylpent-3-enoic acid
CID 67132273

Frequently Asked Questions

What is the IUPAC name of (E,2S,3R)-2-benzyl-3-[dimethyl(phenyl)silyl]hex-4-en-1-ol?
The IUPAC name of (E,2S,3R)-2-benzyl-3-[dimethyl(phenyl)silyl]hex-4-en-1-ol (CID 11141904) is (E,2S,3R)-2-benzyl-3-[dimethyl(phenyl)silyl]hex-4-en-1-ol.
What is the SMILES notation for (E,2S,3R)-2-benzyl-3-[dimethyl(phenyl)silyl]hex-4-en-1-ol?
The canonical SMILES for (E,2S,3R)-2-benzyl-3-[dimethyl(phenyl)silyl]hex-4-en-1-ol is C/C=C/[C@H]([C@H](CO)Cc1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of (E,2S,3R)-2-benzyl-3-[dimethyl(phenyl)silyl]hex-4-en-1-ol?
The InChIKey is ALLTUSJRAKCDQF-YTSJMYBASA-N. The full InChI is InChI=1S/C21H28OSi/c1-4-11-21(23(2,3)20-14-9-6-10-15-20)19(17-22)16-18-12-7-5-8-13-18/h4-15,19,21-22H,16-17H2,1-3H3/b11-4+/t19-,21+/m0/s1.
What are the key properties of (E,2S,3R)-2-benzyl-3-[dimethyl(phenyl)silyl]hex-4-en-1-ol?
(E,2S,3R)-2-benzyl-3-[dimethyl(phenyl)silyl]hex-4-en-1-ol has a molecular weight of 324.54 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3R)-2-benzyl-3-[dimethyl(phenyl)silyl]hex-4-en-1-ol is sourced from PubChem (CID 11141904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).