(3Z)-1-phenyl-4-triethylsilyloxyhexa-3,5-dien-1-ol

C18H28O2Si — CID 12749296

IUPAC(3Z)-1-phenyl-4-triethylsilyloxyhexa-3,5-dien-1-ol
SMILESC=C/C(=C/CC(O)c1ccccc1)O[Si](CC)(CC)CC
InChIInChI=1S/C18H28O2Si/c1-5-17(20-21(6-2,7-3)8-4)14-15-18(19)16-12-10-9-11-13-16/h5,9-14,18-19H,1,6-8,15H2,2-4H3/b17-14-
InChIKeyRYQNPJYCJZOJAW-VKAVYKQESA-N
MW304.51 g/mol
LogP5.20
Rot. Bonds9

About (3Z)-1-phenyl-4-triethylsilyloxyhexa-3,5-dien-1-ol

(3Z)-1-phenyl-4-triethylsilyloxyhexa-3,5-dien-1-ol (PubChem CID 12749296) has the molecular formula C18H28O2Si and a molecular weight of 304.51 g/mol. Its IUPAC name is (3Z)-1-phenyl-4-triethylsilyloxyhexa-3,5-dien-1-ol.

Molecular Properties

Compound Name(3Z)-1-phenyl-4-triethylsilyloxyhexa-3,5-dien-1-ol
PubChem CID12749296
Molecular FormulaC18H28O2Si
Molecular Weight304.51 g/mol
Exact Mass304.19
IUPAC Name(3Z)-1-phenyl-4-triethylsilyloxyhexa-3,5-dien-1-ol
SMILESC=C/C(=C/CC(O)c1ccccc1)O[Si](CC)(CC)CC
InChIInChI=1S/C18H28O2Si/c1-5-17(20-21(6-2,7-3)8-4)14-15-18(19)16-12-10-9-11-13-16/h5,9-14,18-19H,1,6-8,15H2,2-4H3/b17-14-
InChIKeyRYQNPJYCJZOJAW-VKAVYKQESA-N
XLogP5.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.51
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-1-phenyl-4-triethylsilyloxyhexa-3,5-dien-1-ol?
The IUPAC name of (3Z)-1-phenyl-4-triethylsilyloxyhexa-3,5-dien-1-ol (CID 12749296) is (3Z)-1-phenyl-4-triethylsilyloxyhexa-3,5-dien-1-ol.
What is the SMILES notation for (3Z)-1-phenyl-4-triethylsilyloxyhexa-3,5-dien-1-ol?
The canonical SMILES for (3Z)-1-phenyl-4-triethylsilyloxyhexa-3,5-dien-1-ol is C=C/C(=C/CC(O)c1ccccc1)O[Si](CC)(CC)CC.
What is the InChIKey of (3Z)-1-phenyl-4-triethylsilyloxyhexa-3,5-dien-1-ol?
The InChIKey is RYQNPJYCJZOJAW-VKAVYKQESA-N. The full InChI is InChI=1S/C18H28O2Si/c1-5-17(20-21(6-2,7-3)8-4)14-15-18(19)16-12-10-9-11-13-16/h5,9-14,18-19H,1,6-8,15H2,2-4H3/b17-14-.
What are the key properties of (3Z)-1-phenyl-4-triethylsilyloxyhexa-3,5-dien-1-ol?
(3Z)-1-phenyl-4-triethylsilyloxyhexa-3,5-dien-1-ol has a molecular weight of 304.51 g/mol, XLogP of 5.20, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-phenyl-4-triethylsilyloxyhexa-3,5-dien-1-ol is sourced from PubChem (CID 12749296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).