3-ethylpent-1-yn-3-ol;3-ethyl-1-trimethylsilylpent-1-yn-3-ol

C17H32O2Si — CID 161367017

IUPAC3-ethylpent-1-yn-3-ol;3-ethyl-1-trimethylsilylpent-1-yn-3-ol
SMILESC#CC(O)(CC)CC.CCC(O)(C#C[Si](C)(C)C)CC
InChIInChI=1S/C10H20OSi.C7H12O/c1-6-10(11,7-2)8-9-12(3,4)5;1-4-7(8,5-2)6-3/h11H,6-7H2,1-5H3;1,8H,5-6H2,2-3H3
InChIKeyVPYFEXXVCNLPPW-UHFFFAOYSA-N
MW296.53 g/mol
LogP3.59
Rot. Bonds4

About 3-ethylpent-1-yn-3-ol;3-ethyl-1-trimethylsilylpent-1-yn-3-ol

3-ethylpent-1-yn-3-ol;3-ethyl-1-trimethylsilylpent-1-yn-3-ol (PubChem CID 161367017) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is 3-ethylpent-1-yn-3-ol;3-ethyl-1-trimethylsilylpent-1-yn-3-ol.

Molecular Properties

Compound Name3-ethylpent-1-yn-3-ol;3-ethyl-1-trimethylsilylpent-1-yn-3-ol
PubChem CID161367017
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name3-ethylpent-1-yn-3-ol;3-ethyl-1-trimethylsilylpent-1-yn-3-ol
SMILESC#CC(O)(CC)CC.CCC(O)(C#C[Si](C)(C)C)CC
InChIInChI=1S/C10H20OSi.C7H12O/c1-6-10(11,7-2)8-9-12(3,4)5;1-4-7(8,5-2)6-3/h11H,6-7H2,1-5H3;1,8H,5-6H2,2-3H3
InChIKeyVPYFEXXVCNLPPW-UHFFFAOYSA-N
XLogP3.59
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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
(3S)-3-methyl-6-trimethylsilylhex-5-yn-3-ol
CID 53483592
6-Dimethylsilyl-3-ethylhex-5-yn-3-ol
CID 123564494
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
Tert-butyl-dimethyl-[1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-yl]oxysilane;1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-ol
CID 165029410
Tert-butyl-dimethyl-(2-methylhex-5-yn-2-yloxy)silane;2-methylhex-5-yn-2-ol
CID 165029411
4-Methyl-1,7-bis(trimethylsilyl)hepta-1,6-diyn-4-ol
CID 12140530
3-Ethyl-4-(trimethylsilyl)non-5-yn-3-ol
CID 71412446
3-Ethyl-4,7-bis(trimethylsilyl)hept-5-yn-3-ol
CID 101269621

Frequently Asked Questions

What is the IUPAC name of 3-ethylpent-1-yn-3-ol;3-ethyl-1-trimethylsilylpent-1-yn-3-ol?
The IUPAC name of 3-ethylpent-1-yn-3-ol;3-ethyl-1-trimethylsilylpent-1-yn-3-ol (CID 161367017) is 3-ethylpent-1-yn-3-ol;3-ethyl-1-trimethylsilylpent-1-yn-3-ol.
What is the SMILES notation for 3-ethylpent-1-yn-3-ol;3-ethyl-1-trimethylsilylpent-1-yn-3-ol?
The canonical SMILES for 3-ethylpent-1-yn-3-ol;3-ethyl-1-trimethylsilylpent-1-yn-3-ol is C#CC(O)(CC)CC.CCC(O)(C#C[Si](C)(C)C)CC.
What is the InChIKey of 3-ethylpent-1-yn-3-ol;3-ethyl-1-trimethylsilylpent-1-yn-3-ol?
The InChIKey is VPYFEXXVCNLPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OSi.C7H12O/c1-6-10(11,7-2)8-9-12(3,4)5;1-4-7(8,5-2)6-3/h11H,6-7H2,1-5H3;1,8H,5-6H2,2-3H3.
What are the key properties of 3-ethylpent-1-yn-3-ol;3-ethyl-1-trimethylsilylpent-1-yn-3-ol?
3-ethylpent-1-yn-3-ol;3-ethyl-1-trimethylsilylpent-1-yn-3-ol has a molecular weight of 296.53 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpent-1-yn-3-ol;3-ethyl-1-trimethylsilylpent-1-yn-3-ol is sourced from PubChem (CID 161367017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).