(Z,1R,2S)-1,6-diphenyl-2-(trimethylsilyloxymethyl)hex-3-en-1-ol

C22H30O2Si — CID 46191963

IUPAC(Z,1R,2S)-1,6-diphenyl-2-(trimethylsilyloxymethyl)hex-3-en-1-ol
SMILESC[Si](C)(C)OC[C@H](/C=C\CCc1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C22H30O2Si/c1-25(2,3)24-18-21(22(23)20-15-8-5-9-16-20)17-11-10-14-19-12-6-4-7-13-19/h4-9,11-13,15-17,21-23H,10,14,18H2,1-3H3/b17-11-/t21-,22-/m0/s1
InChIKeyWCQQWHLVKQLLIV-JTQXVWKMSA-N
MW354.57 g/mol
LogP5.38
Rot. Bonds9

About (Z,1R,2S)-1,6-diphenyl-2-(trimethylsilyloxymethyl)hex-3-en-1-ol

(Z,1R,2S)-1,6-diphenyl-2-(trimethylsilyloxymethyl)hex-3-en-1-ol (PubChem CID 46191963) has the molecular formula C22H30O2Si and a molecular weight of 354.57 g/mol. Its IUPAC name is (Z,1R,2S)-1,6-diphenyl-2-(trimethylsilyloxymethyl)hex-3-en-1-ol.

Molecular Properties

Compound Name(Z,1R,2S)-1,6-diphenyl-2-(trimethylsilyloxymethyl)hex-3-en-1-ol
PubChem CID46191963
Molecular FormulaC22H30O2Si
Molecular Weight354.57 g/mol
Exact Mass354.20
IUPAC Name(Z,1R,2S)-1,6-diphenyl-2-(trimethylsilyloxymethyl)hex-3-en-1-ol
SMILESC[Si](C)(C)OC[C@H](/C=C\CCc1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C22H30O2Si/c1-25(2,3)24-18-21(22(23)20-15-8-5-9-16-20)17-11-10-14-19-12-6-4-7-13-19/h4-9,11-13,15-17,21-23H,10,14,18H2,1-3H3/b17-11-/t21-,22-/m0/s1
InChIKeyWCQQWHLVKQLLIV-JTQXVWKMSA-N
XLogP5.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.57
LogP ≤ 55.38
H-Bond Donors ≤ 51
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

[(Z)-5,5-dimethoxypent-3-enyl]benzene
CID 102219154
[(Z)-5-methylhex-3-enyl]benzene
CID 13403768
(2R)-2-hydroxy-6-phenylhex-3-enoic acid
CID 67831587
(E)-2-benzyl-6-phenylhex-3-en-1-ol
CID 11529105
tert-butyl-dimethyl-[(E,2R)-2-(2,3,4,5,6-pentafluorophenyl)-6-phenylhex-3-enoxy]silane
CID 57413406
(Z,1R,2R)-N-benzyl-2-methyl-1,6-diphenylhex-3-en-1-amine
CID 101465131
3-[(E)-6-phenylhex-3-en-2-yl]pentane-2,4-dione
CID 122393603
trimethyl-[(E)-5-phenyl-1-[4-(trifluoromethyl)phenyl]pent-2-enyl]silane
CID 46901635
(E,1S,2R)-2-methyl-1-phenyl-5-trimethylsilylpent-3-en-1-ol
CID 102275587
pent-3-enylbenzene
CID 519421
[[(E,1S,2S)-2-methyl-1,6-diphenylhex-3-enyl]amino] benzoate
CID 53392360
tert-butyl-dimethyl-[(E)-6-phenyl-2-(1,3-thiazol-2-yl)hex-3-enoxy]silane
CID 132602283

Frequently Asked Questions

What is the IUPAC name of (Z,1R,2S)-1,6-diphenyl-2-(trimethylsilyloxymethyl)hex-3-en-1-ol?
The IUPAC name of (Z,1R,2S)-1,6-diphenyl-2-(trimethylsilyloxymethyl)hex-3-en-1-ol (CID 46191963) is (Z,1R,2S)-1,6-diphenyl-2-(trimethylsilyloxymethyl)hex-3-en-1-ol.
What is the SMILES notation for (Z,1R,2S)-1,6-diphenyl-2-(trimethylsilyloxymethyl)hex-3-en-1-ol?
The canonical SMILES for (Z,1R,2S)-1,6-diphenyl-2-(trimethylsilyloxymethyl)hex-3-en-1-ol is C[Si](C)(C)OC[C@H](/C=C\CCc1ccccc1)[C@@H](O)c1ccccc1.
What is the InChIKey of (Z,1R,2S)-1,6-diphenyl-2-(trimethylsilyloxymethyl)hex-3-en-1-ol?
The InChIKey is WCQQWHLVKQLLIV-JTQXVWKMSA-N. The full InChI is InChI=1S/C22H30O2Si/c1-25(2,3)24-18-21(22(23)20-15-8-5-9-16-20)17-11-10-14-19-12-6-4-7-13-19/h4-9,11-13,15-17,21-23H,10,14,18H2,1-3H3/b17-11-/t21-,22-/m0/s1.
What are the key properties of (Z,1R,2S)-1,6-diphenyl-2-(trimethylsilyloxymethyl)hex-3-en-1-ol?
(Z,1R,2S)-1,6-diphenyl-2-(trimethylsilyloxymethyl)hex-3-en-1-ol has a molecular weight of 354.57 g/mol, XLogP of 5.38, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1R,2S)-1,6-diphenyl-2-(trimethylsilyloxymethyl)hex-3-en-1-ol is sourced from PubChem (CID 46191963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).