1,7-bis[tri(propan-2-yl)silyl]-3-[2-tri(propan-2-yl)silylethynyl]hepta-1,4,6-triyn-3-ol

C36H64OSi3 — CID 15258550

IUPAC1,7-bis[tri(propan-2-yl)silyl]-3-[2-tri(propan-2-yl)silylethynyl]hepta-1,4,6-triyn-3-ol
SMILESCC(C)[Si](C#CC#CC(O)(C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C36H64OSi3/c1-27(2)38(28(3)4,29(5)6)24-20-19-21-36(37,22-25-39(30(7)8,31(9)10)32(11)12)23-26-40(33(13)14,34(15)16)35(17)18/h27-35,37H,1-18H3
InChIKeyJYYJKOMNAZZABD-UHFFFAOYSA-N
MW597.17 g/mol
LogP10.39
Rot. Bonds9

About 1,7-bis[tri(propan-2-yl)silyl]-3-[2-tri(propan-2-yl)silylethynyl]hepta-1,4,6-triyn-3-ol

1,7-bis[tri(propan-2-yl)silyl]-3-[2-tri(propan-2-yl)silylethynyl]hepta-1,4,6-triyn-3-ol (PubChem CID 15258550) has the molecular formula C36H64OSi3 and a molecular weight of 597.17 g/mol. Its IUPAC name is 1,7-bis[tri(propan-2-yl)silyl]-3-[2-tri(propan-2-yl)silylethynyl]hepta-1,4,6-triyn-3-ol.

Molecular Properties

Compound Name1,7-bis[tri(propan-2-yl)silyl]-3-[2-tri(propan-2-yl)silylethynyl]hepta-1,4,6-triyn-3-ol
PubChem CID15258550
Molecular FormulaC36H64OSi3
Molecular Weight597.17 g/mol
Exact Mass596.43
IUPAC Name1,7-bis[tri(propan-2-yl)silyl]-3-[2-tri(propan-2-yl)silylethynyl]hepta-1,4,6-triyn-3-ol
SMILESCC(C)[Si](C#CC#CC(O)(C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C36H64OSi3/c1-27(2)38(28(3)4,29(5)6)24-20-19-21-36(37,22-25-39(30(7)8,31(9)10)32(11)12)23-26-40(33(13)14,34(15)16)35(17)18/h27-35,37H,1-18H3
InChIKeyJYYJKOMNAZZABD-UHFFFAOYSA-N
XLogP10.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.17
LogP ≤ 510.39
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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Launch Full Analysis

Related Compounds

2-Methyl-4-(trimethylsilyl)but-3-yn-2-ol
CID 332724
6-Trimethylsilyl-2-methylhexa-3,5-diyn-2-ol
CID 10678951
(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
6-Dimethylethylsilyl-2-methylhexa-3,5-diyn-2-ol
CID 129806516
2-[Tert-butyl(dimethyl)silyl]-4-trimethylsilylbut-3-yn-2-ol
CID 135068800
4,7,13,16-Tetramethoxy-1,4,7,10,13,16-hexakis(2-triethylsilylethynyl)cyclooctadeca-2,5,8,11,14,17-hexayne-1,10-diol
CID 138971021
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
Bis triethylsilyl butynol
CID 23374723

Frequently Asked Questions

What is the IUPAC name of 1,7-bis[tri(propan-2-yl)silyl]-3-[2-tri(propan-2-yl)silylethynyl]hepta-1,4,6-triyn-3-ol?
The IUPAC name of 1,7-bis[tri(propan-2-yl)silyl]-3-[2-tri(propan-2-yl)silylethynyl]hepta-1,4,6-triyn-3-ol (CID 15258550) is 1,7-bis[tri(propan-2-yl)silyl]-3-[2-tri(propan-2-yl)silylethynyl]hepta-1,4,6-triyn-3-ol.
What is the SMILES notation for 1,7-bis[tri(propan-2-yl)silyl]-3-[2-tri(propan-2-yl)silylethynyl]hepta-1,4,6-triyn-3-ol?
The canonical SMILES for 1,7-bis[tri(propan-2-yl)silyl]-3-[2-tri(propan-2-yl)silylethynyl]hepta-1,4,6-triyn-3-ol is CC(C)[Si](C#CC#CC(O)(C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 1,7-bis[tri(propan-2-yl)silyl]-3-[2-tri(propan-2-yl)silylethynyl]hepta-1,4,6-triyn-3-ol?
The InChIKey is JYYJKOMNAZZABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H64OSi3/c1-27(2)38(28(3)4,29(5)6)24-20-19-21-36(37,22-25-39(30(7)8,31(9)10)32(11)12)23-26-40(33(13)14,34(15)16)35(17)18/h27-35,37H,1-18H3.
What are the key properties of 1,7-bis[tri(propan-2-yl)silyl]-3-[2-tri(propan-2-yl)silylethynyl]hepta-1,4,6-triyn-3-ol?
1,7-bis[tri(propan-2-yl)silyl]-3-[2-tri(propan-2-yl)silylethynyl]hepta-1,4,6-triyn-3-ol has a molecular weight of 597.17 g/mol, XLogP of 10.39, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-bis[tri(propan-2-yl)silyl]-3-[2-tri(propan-2-yl)silylethynyl]hepta-1,4,6-triyn-3-ol is sourced from PubChem (CID 15258550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).