3-phenyl-1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol

C23H36OSi2 — CID 165389065

IUPAC3-phenyl-1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol
SMILESCC(C)[Si](C#CC(O)(C#C[Si](C)(C)C)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C23H36OSi2/c1-19(2)26(20(3)4,21(5)6)18-16-23(24,15-17-25(7,8)9)22-13-11-10-12-14-22/h10-14,19-21,24H,1-9H3
InChIKeyIZCCUURERQKWHR-UHFFFAOYSA-N
MW384.71 g/mol
LogP5.98
Rot. Bonds4

About 3-phenyl-1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol

3-phenyl-1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol (PubChem CID 165389065) has the molecular formula C23H36OSi2 and a molecular weight of 384.71 g/mol. Its IUPAC name is 3-phenyl-1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol.

Molecular Properties

Compound Name3-phenyl-1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol
PubChem CID165389065
Molecular FormulaC23H36OSi2
Molecular Weight384.71 g/mol
Exact Mass384.23
IUPAC Name3-phenyl-1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol
SMILESCC(C)[Si](C#CC(O)(C#C[Si](C)(C)C)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C23H36OSi2/c1-19(2)26(20(3)4,21(5)6)18-16-23(24,15-17-25(7,8)9)22-13-11-10-12-14-22/h10-14,19-21,24H,1-9H3
InChIKeyIZCCUURERQKWHR-UHFFFAOYSA-N
XLogP5.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.71
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-(3-methyl-3-phenylbut-1-ynyl)silane
CID 68608831
6,9-dimethoxy-3-(4-methoxyphenyl)-12-(4-nitrophenyl)-6,9-diphenyl-1,14-bis[tri(propan-2-yl)silyl]tetradeca-1,4,7,10,13-pentayne-3,12-diol
CID 102335529
tert-butyl-[2-ethynyl-2-phenyl-4-tri(propan-2-yl)silylbut-3-ynoxy]-dimethylsilane
CID 46243481
3-(2-methoxyphenyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol
CID 15466235
(2R)-2-phenyl-5-trimethylsilylpent-4-yn-2-ol
CID 134964720
1-(benzenesulfinyl)-2-phenyl-4-trimethylsilylbut-3-yn-2-ol
CID 15653946
1,1-bis(9H-fluoren-9-yl)-3-trimethylsilylprop-2-yn-1-ol
CID 139220315
(1R)-2,2-dimethyl-1-phenyl-4-trimethylsilylbut-3-yn-1-ol
CID 134967725
[(Z)-3,4-diphenyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 100967832
[3,3-difluoro-3-(2-methylphenyl)prop-1-ynyl]-tri(propan-2-yl)silane
CID 134951108
1-phenyl-1,4-bis(trimethylsilyl)but-3-yn-1-ol
CID 10401990
[(Z)-3-fluoro-4-phenylpent-3-en-1-ynyl]-tri(propan-2-yl)silane
CID 10757817

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol?
The IUPAC name of 3-phenyl-1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol (CID 165389065) is 3-phenyl-1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol.
What is the SMILES notation for 3-phenyl-1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol?
The canonical SMILES for 3-phenyl-1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol is CC(C)[Si](C#CC(O)(C#C[Si](C)(C)C)c1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of 3-phenyl-1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol?
The InChIKey is IZCCUURERQKWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36OSi2/c1-19(2)26(20(3)4,21(5)6)18-16-23(24,15-17-25(7,8)9)22-13-11-10-12-14-22/h10-14,19-21,24H,1-9H3.
What are the key properties of 3-phenyl-1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol?
3-phenyl-1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol has a molecular weight of 384.71 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol is sourced from PubChem (CID 165389065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).