2,6-dimethyl-2,6-bis(trimethylsilyl)-4-(2-trimethylsilylethynyl)heptan-4-ol

C20H44OSi3 — CID 15850216

IUPAC2,6-dimethyl-2,6-bis(trimethylsilyl)-4-(2-trimethylsilylethynyl)heptan-4-ol
SMILESCC(C)(CC(O)(C#C[Si](C)(C)C)CC(C)(C)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C20H44OSi3/c1-18(2,23(8,9)10)16-20(21,14-15-22(5,6)7)17-19(3,4)24(11,12)13/h21H,16-17H2,1-13H3
InChIKeyVGOUJLZFSKFTBM-UHFFFAOYSA-N
MW384.83 g/mol
LogP6.62
Rot. Bonds6

About 2,6-dimethyl-2,6-bis(trimethylsilyl)-4-(2-trimethylsilylethynyl)heptan-4-ol

2,6-dimethyl-2,6-bis(trimethylsilyl)-4-(2-trimethylsilylethynyl)heptan-4-ol (PubChem CID 15850216) has the molecular formula C20H44OSi3 and a molecular weight of 384.83 g/mol. Its IUPAC name is 2,6-dimethyl-2,6-bis(trimethylsilyl)-4-(2-trimethylsilylethynyl)heptan-4-ol.

Molecular Properties

Compound Name2,6-dimethyl-2,6-bis(trimethylsilyl)-4-(2-trimethylsilylethynyl)heptan-4-ol
PubChem CID15850216
Molecular FormulaC20H44OSi3
Molecular Weight384.83 g/mol
Exact Mass384.27
IUPAC Name2,6-dimethyl-2,6-bis(trimethylsilyl)-4-(2-trimethylsilylethynyl)heptan-4-ol
SMILESCC(C)(CC(O)(C#C[Si](C)(C)C)CC(C)(C)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C20H44OSi3/c1-18(2,23(8,9)10)16-20(21,14-15-22(5,6)7)17-19(3,4)24(11,12)13/h21H,16-17H2,1-13H3
InChIKeyVGOUJLZFSKFTBM-UHFFFAOYSA-N
XLogP6.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.83
LogP ≤ 56.62
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

5-(2-Trimethylsilylethynyl)nonan-5-ol
CID 12125188
3-Ethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-ol
CID 166442138
4-Propyl-1-(trimethylsilyl)-1-heptyn-4-ol
CID 12653261
4-Trimethylsilylethynyl-1-octyn-4-ol
CID 12786193
4-(2-Trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane
CID 20565068
3-Methyl-1-trimethylsilyloct-1-yn-3-ol
CID 23389309
(3S)-3-methyl-1-trimethylsilyloct-1-yn-3-ol
CID 24798611
4-(2-Trimethylsilylethynyl)hept-1-yn-4-ol
CID 53859588
4-(2-Trimethylsilylethynyl)nonan-4-ol
CID 54425784
4-Methyl-1-triethylsilyloct-1-yn-4-ol
CID 85976280
4-Methyloct-1-yn-4-ol;triethyl(triethylsilyloxy)silane
CID 88799774
(4S)-4-methyl-1-triethylsilyloct-1-yn-4-ol
CID 88832509

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-2,6-bis(trimethylsilyl)-4-(2-trimethylsilylethynyl)heptan-4-ol?
The IUPAC name of 2,6-dimethyl-2,6-bis(trimethylsilyl)-4-(2-trimethylsilylethynyl)heptan-4-ol (CID 15850216) is 2,6-dimethyl-2,6-bis(trimethylsilyl)-4-(2-trimethylsilylethynyl)heptan-4-ol.
What is the SMILES notation for 2,6-dimethyl-2,6-bis(trimethylsilyl)-4-(2-trimethylsilylethynyl)heptan-4-ol?
The canonical SMILES for 2,6-dimethyl-2,6-bis(trimethylsilyl)-4-(2-trimethylsilylethynyl)heptan-4-ol is CC(C)(CC(O)(C#C[Si](C)(C)C)CC(C)(C)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 2,6-dimethyl-2,6-bis(trimethylsilyl)-4-(2-trimethylsilylethynyl)heptan-4-ol?
The InChIKey is VGOUJLZFSKFTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44OSi3/c1-18(2,23(8,9)10)16-20(21,14-15-22(5,6)7)17-19(3,4)24(11,12)13/h21H,16-17H2,1-13H3.
What are the key properties of 2,6-dimethyl-2,6-bis(trimethylsilyl)-4-(2-trimethylsilylethynyl)heptan-4-ol?
2,6-dimethyl-2,6-bis(trimethylsilyl)-4-(2-trimethylsilylethynyl)heptan-4-ol has a molecular weight of 384.83 g/mol, XLogP of 6.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-2,6-bis(trimethylsilyl)-4-(2-trimethylsilylethynyl)heptan-4-ol is sourced from PubChem (CID 15850216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).