(1E)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1-phenylhexa-1,4-dien-3-ol

C20H28OSi — CID 134940588

IUPAC(1E)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1-phenylhexa-1,4-dien-3-ol
SMILESCC=CC(O)(C#C[Si](C)(C)C(C)(C)C)/C=C/c1ccccc1
InChIInChI=1S/C20H28OSi/c1-7-14-20(21,15-13-18-11-9-8-10-12-18)16-17-22(5,6)19(2,3)4/h7-15,21H,1-6H3/b14-7?,15-13+
InChIKeyPYXXNJPSTCVPCM-JGKVQJRUSA-N
MW312.53 g/mol
LogP5.06
Rot. Bonds3

About (1E)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1-phenylhexa-1,4-dien-3-ol

(1E)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1-phenylhexa-1,4-dien-3-ol (PubChem CID 134940588) has the molecular formula C20H28OSi and a molecular weight of 312.53 g/mol. Its IUPAC name is (1E)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1-phenylhexa-1,4-dien-3-ol.

Molecular Properties

Compound Name(1E)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1-phenylhexa-1,4-dien-3-ol
PubChem CID134940588
Molecular FormulaC20H28OSi
Molecular Weight312.53 g/mol
Exact Mass312.19
IUPAC Name(1E)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1-phenylhexa-1,4-dien-3-ol
SMILESCC=CC(O)(C#C[Si](C)(C)C(C)(C)C)/C=C/c1ccccc1
InChIInChI=1S/C20H28OSi/c1-7-14-20(21,15-13-18-11-9-8-10-12-18)16-17-22(5,6)19(2,3)4/h7-15,21H,1-6H3/b14-7?,15-13+
InChIKeyPYXXNJPSTCVPCM-JGKVQJRUSA-N
XLogP5.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.53
LogP ≤ 55.06
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(1E,4Z)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1-phenylhexa-1,4-dien-3-ol
CID 101446464
(E)-4-phenyl-2-trimethylsilylbut-3-en-2-ol
CID 102406299
(2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]-1,1-diphenylbut-3-yn-1-ol
CID 16756347
tert-butyl-[(E)-3,4-diphenylbut-3-en-1-ynyl]-dimethylsilane
CID 102080744
tert-butyl-dimethyl-(2-phenylethynyl)silane
CID 11127691
(Z)-3-methyl-1-phenylpent-1-en-3-ol
CID 20841410
tert-butyl-[(Z)-3-(methoxymethyl)-4-phenylbut-3-en-1-ynyl]-dimethylsilane
CID 102296200
(Z)-1,1,3-triphenylprop-2-en-1-ol
CID 92856099
3-[tert-butyl(dimethyl)silyl]-1-phenylprop-2-yn-1-ol
CID 2760369
ethane;[(Z)-prop-1-enyl]benzene
CID 90831801
CID 157355117
CID 157355117
buta-1,3-diene;bis(prop-1-enylbenzene)
CID 172716960

Frequently Asked Questions

What is the IUPAC name of (1E)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1-phenylhexa-1,4-dien-3-ol?
The IUPAC name of (1E)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1-phenylhexa-1,4-dien-3-ol (CID 134940588) is (1E)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1-phenylhexa-1,4-dien-3-ol.
What is the SMILES notation for (1E)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1-phenylhexa-1,4-dien-3-ol?
The canonical SMILES for (1E)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1-phenylhexa-1,4-dien-3-ol is CC=CC(O)(C#C[Si](C)(C)C(C)(C)C)/C=C/c1ccccc1.
What is the InChIKey of (1E)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1-phenylhexa-1,4-dien-3-ol?
The InChIKey is PYXXNJPSTCVPCM-JGKVQJRUSA-N. The full InChI is InChI=1S/C20H28OSi/c1-7-14-20(21,15-13-18-11-9-8-10-12-18)16-17-22(5,6)19(2,3)4/h7-15,21H,1-6H3/b14-7?,15-13+.
What are the key properties of (1E)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1-phenylhexa-1,4-dien-3-ol?
(1E)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1-phenylhexa-1,4-dien-3-ol has a molecular weight of 312.53 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1-phenylhexa-1,4-dien-3-ol is sourced from PubChem (CID 134940588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).