3-ethynyl-1-triethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol

C22H38OSi2 — CID 12036885

IUPAC3-ethynyl-1-triethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol
SMILESC#CC(O)(C#C[Si](CC)(CC)CC)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H38OSi2/c1-11-22(23,15-17-24(12-2,13-3)14-4)16-18-25(19(5)6,20(7)8)21(9)10/h1,19-21,23H,12-14H2,2-10H3
InChIKeyLWEYZCUERCBMBA-UHFFFAOYSA-N
MW374.72 g/mol
LogP5.62
Rot. Bonds6

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

3-ethynyl-1-triethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol (PubChem CID 12036885) has the molecular formula C22H38OSi2 and a molecular weight of 374.72 g/mol. Its IUPAC name is 3-ethynyl-1-triethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol.

Molecular Properties

Compound Name3-ethynyl-1-triethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol
PubChem CID12036885
Molecular FormulaC22H38OSi2
Molecular Weight374.72 g/mol
Exact Mass374.25
IUPAC Name3-ethynyl-1-triethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol
SMILESC#CC(O)(C#C[Si](CC)(CC)CC)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H38OSi2/c1-11-22(23,15-17-24(12-2,13-3)14-4)16-18-25(19(5)6,20(7)8)21(9)10/h1,19-21,23H,12-14H2,2-10H3
InChIKeyLWEYZCUERCBMBA-UHFFFAOYSA-N
XLogP5.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.72
LogP ≤ 55.62
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

2-Methyl-4-(trimethylsilyl)but-3-yn-2-ol
CID 332724
6-Trimethylsilyl-2-methylhexa-3,5-diyn-2-ol
CID 10678951
1,7-Bis[tri(propan-2-yl)silyl]-3-[2-tri(propan-2-yl)silylethynyl]hepta-1,4,6-triyn-3-ol
CID 15258550
(3R)-3-ethynyl-1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol
CID 135086314
1-Tri(propan-2-yl)silyl-3-[2-tri(propan-2-yl)silylethynyl]trideca-1,4,6,8-tetrayn-3-ol
CID 24179136
(3,6-Diethynyl-3,6-dimethoxy-8-triethylsilylocta-1,4,7-triynyl)-triethylsilane
CID 102086370
6-Dimethylethylsilyl-2-methylhexa-3,5-diyn-2-ol
CID 129806516
2-[Tert-butyl(dimethyl)silyl]-4-trimethylsilylbut-3-yn-2-ol
CID 135068800
1-Trimethylsilyl-3-(2-trimethylsilylethynyl)heptadeca-1,4-diyn-3-ol
CID 138980138
(3S)-3-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]-1-trimethylsilylpent-1-yn-3-ol
CID 166442571
2-Methyl-6-tri(propan-2-yl)silylhexa-3,5-diyn-2-ol
CID 85976137
1,5-Bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)penta-1,4-diyn-3-ol
CID 13794756

Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-1-triethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol?
The IUPAC name of 3-ethynyl-1-triethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol (CID 12036885) is 3-ethynyl-1-triethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol.
What is the SMILES notation for 3-ethynyl-1-triethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol?
The canonical SMILES for 3-ethynyl-1-triethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol is C#CC(O)(C#C[Si](CC)(CC)CC)C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3-ethynyl-1-triethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol?
The InChIKey is LWEYZCUERCBMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38OSi2/c1-11-22(23,15-17-24(12-2,13-3)14-4)16-18-25(19(5)6,20(7)8)21(9)10/h1,19-21,23H,12-14H2,2-10H3.
What are the key properties of 3-ethynyl-1-triethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol?
3-ethynyl-1-triethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol has a molecular weight of 374.72 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-1-triethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol is sourced from PubChem (CID 12036885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).