1-phenyl-4-trimethylsilylhexa-4,5-dien-3-ol

C15H22OSi — CID 12670486

IUPAC1-phenyl-4-trimethylsilylhexa-4,5-dien-3-ol
SMILESC=C=C(C(O)CCc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C15H22OSi/c1-5-15(17(2,3)4)14(16)12-11-13-9-7-6-8-10-13/h6-10,14,16H,1,11-12H2,2-4H3
InChIKeyHCRVXFRXKQJSRI-UHFFFAOYSA-N
MW246.43 g/mol
LogP3.57
Rot. Bonds5

About 1-phenyl-4-trimethylsilylhexa-4,5-dien-3-ol

1-phenyl-4-trimethylsilylhexa-4,5-dien-3-ol (PubChem CID 12670486) has the molecular formula C15H22OSi and a molecular weight of 246.43 g/mol. Its IUPAC name is 1-phenyl-4-trimethylsilylhexa-4,5-dien-3-ol.

Molecular Properties

Compound Name1-phenyl-4-trimethylsilylhexa-4,5-dien-3-ol
PubChem CID12670486
Molecular FormulaC15H22OSi
Molecular Weight246.43 g/mol
Exact Mass246.14
IUPAC Name1-phenyl-4-trimethylsilylhexa-4,5-dien-3-ol
SMILESC=C=C(C(O)CCc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C15H22OSi/c1-5-15(17(2,3)4)14(16)12-11-13-9-7-6-8-10-13/h6-10,14,16H,1,11-12H2,2-4H3
InChIKeyHCRVXFRXKQJSRI-UHFFFAOYSA-N
XLogP3.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S)-4-ethyl-1-phenylhexa-4,5-dien-3-ol
CID 102158712
1-phenyl-2-trimethylsilylbuta-2,3-dien-1-ol
CID 12653266
ethyl 2-ethenylidene-3-hydroxy-5-phenylpentanoate
CID 142707061
(4S)-4-hydroxy-3-methylidene-6-phenylhexan-2-one
CID 100977771
(3R)-1-phenyl-5-trimethylsilylpentan-3-ol
CID 11601130
(2R)-1-iodo-4-phenylbutan-2-ol
CID 142003029
methyl (2R)-2-hydroxy-4-phenylbutanoate
CID 10878023
2-amino-3-hydroxy-5-phenylpent-1-en-1-one
CID 176525467
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
(2R)-2-deuterio-4-phenylbutan-2-ol
CID 162415693
2-methyl-4-phenylbutane-1,1-diol
CID 20647936

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-trimethylsilylhexa-4,5-dien-3-ol?
The IUPAC name of 1-phenyl-4-trimethylsilylhexa-4,5-dien-3-ol (CID 12670486) is 1-phenyl-4-trimethylsilylhexa-4,5-dien-3-ol.
What is the SMILES notation for 1-phenyl-4-trimethylsilylhexa-4,5-dien-3-ol?
The canonical SMILES for 1-phenyl-4-trimethylsilylhexa-4,5-dien-3-ol is C=C=C(C(O)CCc1ccccc1)[Si](C)(C)C.
What is the InChIKey of 1-phenyl-4-trimethylsilylhexa-4,5-dien-3-ol?
The InChIKey is HCRVXFRXKQJSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OSi/c1-5-15(17(2,3)4)14(16)12-11-13-9-7-6-8-10-13/h6-10,14,16H,1,11-12H2,2-4H3.
What are the key properties of 1-phenyl-4-trimethylsilylhexa-4,5-dien-3-ol?
1-phenyl-4-trimethylsilylhexa-4,5-dien-3-ol has a molecular weight of 246.43 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-trimethylsilylhexa-4,5-dien-3-ol is sourced from PubChem (CID 12670486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).