3-ethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-ol

C15H32OSi2 — CID 166442138

IUPAC3-ethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-ol
SMILESCCC(O)(CC)CC(C#C[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C15H32OSi2/c1-9-15(16,10-2)13-14(18(6,7)8)11-12-17(3,4)5/h14,16H,9-10,13H2,1-8H3
InChIKeyTZWFOGKGWSIUJS-UHFFFAOYSA-N
MW284.59 g/mol
LogP4.52
Rot. Bonds5

About 3-ethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-ol

3-ethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-ol (PubChem CID 166442138) has the molecular formula C15H32OSi2 and a molecular weight of 284.59 g/mol. Its IUPAC name is 3-ethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-ol.

Molecular Properties

Compound Name3-ethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-ol
PubChem CID166442138
Molecular FormulaC15H32OSi2
Molecular Weight284.59 g/mol
Exact Mass284.20
IUPAC Name3-ethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-ol
SMILESCCC(O)(CC)CC(C#C[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C15H32OSi2/c1-9-15(16,10-2)13-14(18(6,7)8)11-12-17(3,4)5/h14,16H,9-10,13H2,1-8H3
InChIKeyTZWFOGKGWSIUJS-UHFFFAOYSA-N
XLogP4.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.59
LogP ≤ 54.52
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

3-Ethyl-1-trimethylsilanyl-pent-1-yn-3-ol
CID 15526815
5-(2-Trimethylsilylethynyl)nonan-5-ol
CID 12125188
(3S)-3-methyl-6-trimethylsilylhex-5-yn-3-ol
CID 53483592
(2R)-2-cyclopropyl-5-trimethylsilylpent-4-yn-2-ol
CID 134964822
1-[2,4-Bis(trimethylsilyl)but-3-ynyl]cyclopentan-1-ol
CID 166438594
4-Propyl-1-(trimethylsilyl)-1-heptyn-4-ol
CID 12653261
4-Trimethylsilylethynyl-1-octyn-4-ol
CID 12786193
1-[2-(Trimethylsilyl)ethynyl]cyclopentan-1-ol
CID 15699925
2-Methyl-5,5,5-tris(trimethylsilyl)pentan-2-ol
CID 18684361
4-(2-Trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane
CID 20565068
4-(2-Trimethylsilylethynyl)hept-1-yn-4-ol
CID 53859588
4-Methyl-1-triethylsilyloct-1-yn-4-ol
CID 85976280

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-ol?
The IUPAC name of 3-ethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-ol (CID 166442138) is 3-ethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-ol.
What is the SMILES notation for 3-ethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-ol?
The canonical SMILES for 3-ethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-ol is CCC(O)(CC)CC(C#C[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 3-ethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-ol?
The InChIKey is TZWFOGKGWSIUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32OSi2/c1-9-15(16,10-2)13-14(18(6,7)8)11-12-17(3,4)5/h14,16H,9-10,13H2,1-8H3.
What are the key properties of 3-ethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-ol?
3-ethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-ol has a molecular weight of 284.59 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-ol is sourced from PubChem (CID 166442138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).