5-[tert-butyl(diphenyl)silyl]-3-methylhexa-3,4-dien-2-ol

C23H30OSi — CID 11121676

IUPAC5-[tert-butyl(diphenyl)silyl]-3-methylhexa-3,4-dien-2-ol
SMILESCC(=C=C(C)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)O
InChIInChI=1S/C23H30OSi/c1-18(20(3)24)17-19(2)25(23(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,24H,1-6H3
InChIKeyUVOXIDHHQBBART-UHFFFAOYSA-N
MW350.58 g/mol
LogP4.46
Rot. Bonds4

About 5-[tert-butyl(diphenyl)silyl]-3-methylhexa-3,4-dien-2-ol

5-[tert-butyl(diphenyl)silyl]-3-methylhexa-3,4-dien-2-ol (PubChem CID 11121676) has the molecular formula C23H30OSi and a molecular weight of 350.58 g/mol. Its IUPAC name is 5-[tert-butyl(diphenyl)silyl]-3-methylhexa-3,4-dien-2-ol.

Molecular Properties

Compound Name5-[tert-butyl(diphenyl)silyl]-3-methylhexa-3,4-dien-2-ol
PubChem CID11121676
Molecular FormulaC23H30OSi
Molecular Weight350.58 g/mol
Exact Mass350.21
IUPAC Name5-[tert-butyl(diphenyl)silyl]-3-methylhexa-3,4-dien-2-ol
SMILESCC(=C=C(C)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)O
InChIInChI=1S/C23H30OSi/c1-18(20(3)24)17-19(2)25(23(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,24H,1-6H3
InChIKeyUVOXIDHHQBBART-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.58
LogP ≤ 54.46
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

[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-[tert-butyl(diphenyl)silyl]-3-methylhexa-3,4-dien-2-yl] acetate
CID 10052471
1-[tert-butyl(diphenyl)silyl]-2,2-difluoroethanone
CID 11472623
1-(tert-butyl-methyl-phenylsilyl)ethanol
CID 14898793
[tert-butyl(diphenyl)silyl]methanediol
CID 166018796
tert-butyl-diphenyl-(1-phenylpropa-1,2-dienyl)silane
CID 11210438
(2R,3S)-5-[tert-butyl(diphenyl)silyl]pent-4-ene-1,2,3,5-tetrol
CID 140511957
1-[tert-butyl(diphenyl)silyl]-2-fluoroethanone
CID 86211351
[(2R,3R)-5-[tert-butyl(diphenyl)silyl]-3-hydroxy-3-methyl-4-oxohex-5-en-2-yl] acetate
CID 10928017
[(1R,2R)-3-[tert-butyl(diphenyl)silyl]-2-methyl-3-oxo-1-phenylpropyl] propanoate
CID 102433781
(E)-3-[tert-butyl(diphenyl)silyl]-5-trimethylsilyl-2-trimethylstannylpent-2-en-4-yn-1-ol
CID 6312841
(E,2S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-ol
CID 44542246
(2S)-3-methyl-5-phenyldeca-3,4-dien-2-ol
CID 101438010

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(diphenyl)silyl]-3-methylhexa-3,4-dien-2-ol?
The IUPAC name of 5-[tert-butyl(diphenyl)silyl]-3-methylhexa-3,4-dien-2-ol (CID 11121676) is 5-[tert-butyl(diphenyl)silyl]-3-methylhexa-3,4-dien-2-ol.
What is the SMILES notation for 5-[tert-butyl(diphenyl)silyl]-3-methylhexa-3,4-dien-2-ol?
The canonical SMILES for 5-[tert-butyl(diphenyl)silyl]-3-methylhexa-3,4-dien-2-ol is CC(=C=C(C)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)O.
What is the InChIKey of 5-[tert-butyl(diphenyl)silyl]-3-methylhexa-3,4-dien-2-ol?
The InChIKey is UVOXIDHHQBBART-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30OSi/c1-18(20(3)24)17-19(2)25(23(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,24H,1-6H3.
What are the key properties of 5-[tert-butyl(diphenyl)silyl]-3-methylhexa-3,4-dien-2-ol?
5-[tert-butyl(diphenyl)silyl]-3-methylhexa-3,4-dien-2-ol has a molecular weight of 350.58 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(diphenyl)silyl]-3-methylhexa-3,4-dien-2-ol is sourced from PubChem (CID 11121676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).