3-ethyl-4,7-bis(trimethylsilyl)hept-5-yn-3-ol

C15H32OSi2 — CID 101269621

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

About 3-ethyl-4,7-bis(trimethylsilyl)hept-5-yn-3-ol

3-ethyl-4,7-bis(trimethylsilyl)hept-5-yn-3-ol (PubChem CID 101269621) has the molecular formula C15H32OSi2 and a molecular weight of 284.59 g/mol. Its IUPAC name is 3-ethyl-4,7-bis(trimethylsilyl)hept-5-yn-3-ol.

Molecular Properties

Compound Name3-ethyl-4,7-bis(trimethylsilyl)hept-5-yn-3-ol
PubChem CID101269621
Molecular FormulaC15H32OSi2
Molecular Weight284.59 g/mol
Exact Mass284.20
IUPAC Name3-ethyl-4,7-bis(trimethylsilyl)hept-5-yn-3-ol
SMILESCCC(O)(CC)C(C#CC[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C15H32OSi2/c1-9-15(16,10-2)14(18(6,7)8)12-11-13-17(3,4)5/h14,16H,9-10,13H2,1-8H3
InChIKeyAHHWJYPUMSUFRH-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
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
3-Methyl-1-(trimethylsilyl)pent-1-yn-3-ol
CID 12630623
1-Tri(propan-2-yl)silyl-3-[2-tri(propan-2-yl)silylethynyl]trideca-1,4,6,8-tetrayn-3-ol
CID 24179136
(3S)-3-methyl-6-trimethylsilylhex-5-yn-3-ol
CID 53483592
3-Ethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-ol
CID 166442138
2-Methyl-5-trimethylsilylpent-4-yn-2-ol
CID 10442134
6-Dimethylsilyl-3-ethylhex-5-yn-3-ol
CID 123564494
2-Methyl-8-(trimethylsilyl)octa-5,7-diyn-2-ol
CID 125494176
2-Methyl-6-(trimethylsilyl)hex-5-yn-2-ol
CID 125494972
2-Methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol
CID 156625822
3-Ethyl-1-tri(propan-2-yl)silylpent-1-yn-3-ol
CID 159866305
3-Ethyl-1-trimethylsilylpent-1-yn-3-ol;ethynyl(trimethyl)silane
CID 160230607

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,7-bis(trimethylsilyl)hept-5-yn-3-ol?
The IUPAC name of 3-ethyl-4,7-bis(trimethylsilyl)hept-5-yn-3-ol (CID 101269621) is 3-ethyl-4,7-bis(trimethylsilyl)hept-5-yn-3-ol.
What is the SMILES notation for 3-ethyl-4,7-bis(trimethylsilyl)hept-5-yn-3-ol?
The canonical SMILES for 3-ethyl-4,7-bis(trimethylsilyl)hept-5-yn-3-ol is CCC(O)(CC)C(C#CC[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 3-ethyl-4,7-bis(trimethylsilyl)hept-5-yn-3-ol?
The InChIKey is AHHWJYPUMSUFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32OSi2/c1-9-15(16,10-2)14(18(6,7)8)12-11-13-17(3,4)5/h14,16H,9-10,13H2,1-8H3.
What are the key properties of 3-ethyl-4,7-bis(trimethylsilyl)hept-5-yn-3-ol?
3-ethyl-4,7-bis(trimethylsilyl)hept-5-yn-3-ol has a molecular weight of 284.59 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,7-bis(trimethylsilyl)hept-5-yn-3-ol is sourced from PubChem (CID 101269621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).