3-(2-methoxyphenyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol

C18H26O2Si2 — CID 15466235

IUPAC3-(2-methoxyphenyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol
SMILESCOc1ccccc1C(O)(C#C[Si](C)(C)C)C#C[Si](C)(C)C
InChIInChI=1S/C18H26O2Si2/c1-20-17-11-9-8-10-16(17)18(19,12-14-21(2,3)4)13-15-22(5,6)7/h8-11,19H,1-7H3
InChIKeyBSLHDCPUSHKAHN-UHFFFAOYSA-N
MW330.58 g/mol
LogP3.64
Rot. Bonds2

About 3-(2-methoxyphenyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol

3-(2-methoxyphenyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol (PubChem CID 15466235) has the molecular formula C18H26O2Si2 and a molecular weight of 330.58 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol
PubChem CID15466235
Molecular FormulaC18H26O2Si2
Molecular Weight330.58 g/mol
Exact Mass330.15
IUPAC Name3-(2-methoxyphenyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol
SMILESCOc1ccccc1C(O)(C#C[Si](C)(C)C)C#C[Si](C)(C)C
InChIInChI=1S/C18H26O2Si2/c1-20-17-11-9-8-10-16(17)18(19,12-14-21(2,3)4)13-15-22(5,6)7/h8-11,19H,1-7H3
InChIKeyBSLHDCPUSHKAHN-UHFFFAOYSA-N
XLogP3.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.58
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-methoxyphenyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methoxyphenyl)penta-1,4-diyn-3-ol
CID 11056360
2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994
2,2,2-trifluoro-1-(2-methoxyphenyl)-1-phenylethanol
CID 11778513
3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol
CID 606344
3-hydroxy-3-(2-methoxyphenyl)-2-methylbutanenitrile
CID 79130467
(2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol
CID 7707238
2-(2-methoxyphenyl)ethynyl-trimethylsilane
CID 5140915
1-(2,6-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 116809641
(2S)-2-(2-methoxyphenyl)butan-2-ol
CID 93303591
2-methoxy-1-(2-methoxyphenyl)-1-phenylethanol
CID 103465436
3-phenyl-1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol
CID 165389065
3-hydroxy-3-(2-methoxyphenyl)butanenitrile
CID 79117864

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol?
The IUPAC name of 3-(2-methoxyphenyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol (CID 15466235) is 3-(2-methoxyphenyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol.
What is the SMILES notation for 3-(2-methoxyphenyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol?
The canonical SMILES for 3-(2-methoxyphenyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol is COc1ccccc1C(O)(C#C[Si](C)(C)C)C#C[Si](C)(C)C.
What is the InChIKey of 3-(2-methoxyphenyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol?
The InChIKey is BSLHDCPUSHKAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2Si2/c1-20-17-11-9-8-10-16(17)18(19,12-14-21(2,3)4)13-15-22(5,6)7/h8-11,19H,1-7H3.
What are the key properties of 3-(2-methoxyphenyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol?
3-(2-methoxyphenyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol has a molecular weight of 330.58 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol is sourced from PubChem (CID 15466235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).