1-(2-ethynylcyclopenten-1-yl)-4-trimethylsilylbut-2-yn-1-ol

C14H20OSi — CID 134884576

IUPAC1-(2-ethynylcyclopenten-1-yl)-4-trimethylsilylbut-2-yn-1-ol
SMILESC#CC1=C(C(O)C#CC[Si](C)(C)C)CCC1
InChIInChI=1S/C14H20OSi/c1-5-12-8-6-9-13(12)14(15)10-7-11-16(2,3)4/h1,14-15H,6,8-9,11H2,2-4H3
InChIKeyLFZKCVKBMUJSTM-UHFFFAOYSA-N
MW232.40 g/mol
LogP2.80
Rot. Bonds2

About 1-(2-ethynylcyclopenten-1-yl)-4-trimethylsilylbut-2-yn-1-ol

1-(2-ethynylcyclopenten-1-yl)-4-trimethylsilylbut-2-yn-1-ol (PubChem CID 134884576) has the molecular formula C14H20OSi and a molecular weight of 232.40 g/mol. Its IUPAC name is 1-(2-ethynylcyclopenten-1-yl)-4-trimethylsilylbut-2-yn-1-ol.

Molecular Properties

Compound Name1-(2-ethynylcyclopenten-1-yl)-4-trimethylsilylbut-2-yn-1-ol
PubChem CID134884576
Molecular FormulaC14H20OSi
Molecular Weight232.40 g/mol
Exact Mass232.13
IUPAC Name1-(2-ethynylcyclopenten-1-yl)-4-trimethylsilylbut-2-yn-1-ol
SMILESC#CC1=C(C(O)C#CC[Si](C)(C)C)CCC1
InChIInChI=1S/C14H20OSi/c1-5-12-8-6-9-13(12)14(15)10-7-11-16(2,3)4/h1,14-15H,6,8-9,11H2,2-4H3
InChIKeyLFZKCVKBMUJSTM-UHFFFAOYSA-N
XLogP2.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 52.80
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

(1s,2r)-2-(t-Butyldimethylsilyl)-1-[2-(3-methyl-3-buten-1-ynyl)-1-cyclopentenyl]-4-(trimethylsilyl)-3-butyn-1-ol
CID 101997623
4-Butyl-1-(2-hex-1-ynylcyclopenten-1-yl)-4-trimethylsilyloct-2-yn-1-ol
CID 134884962
4-Methyl-1-(2-prop-1-ynylcyclopenten-1-yl)-4-trimethylsilylpent-2-yn-1-ol
CID 134897048
(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-4-methylcyclohex-3-en-1-ol
CID 10967467
[5-[Tert-butyl(dimethyl)silyl]oxy-2-methylcyclopenten-1-yl]methanol
CID 11118241
(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-4-methylcyclohex-3-en-1-ol
CID 11254149
2-Methyl-3-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol
CID 85807164
3-((Trimethylsilyl)ethynyl)cyclopent-2-en-1-ol
CID 85898751
(1S)-2-methyl-3-prop-2-ynylcyclopent-2-en-1-ol
CID 87393223
Ethane;3-ethynyl-2-methylcyclohex-2-en-1-ol
CID 142088877
[(1Z)-7-methylidene-8-tri(propan-2-yl)silyloxycyclododec-1-en-5-yn-1-yl]methanol
CID 9999625
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopent-2-en-1-ol
CID 10243472

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethynylcyclopenten-1-yl)-4-trimethylsilylbut-2-yn-1-ol?
The IUPAC name of 1-(2-ethynylcyclopenten-1-yl)-4-trimethylsilylbut-2-yn-1-ol (CID 134884576) is 1-(2-ethynylcyclopenten-1-yl)-4-trimethylsilylbut-2-yn-1-ol.
What is the SMILES notation for 1-(2-ethynylcyclopenten-1-yl)-4-trimethylsilylbut-2-yn-1-ol?
The canonical SMILES for 1-(2-ethynylcyclopenten-1-yl)-4-trimethylsilylbut-2-yn-1-ol is C#CC1=C(C(O)C#CC[Si](C)(C)C)CCC1.
What is the InChIKey of 1-(2-ethynylcyclopenten-1-yl)-4-trimethylsilylbut-2-yn-1-ol?
The InChIKey is LFZKCVKBMUJSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OSi/c1-5-12-8-6-9-13(12)14(15)10-7-11-16(2,3)4/h1,14-15H,6,8-9,11H2,2-4H3.
What are the key properties of 1-(2-ethynylcyclopenten-1-yl)-4-trimethylsilylbut-2-yn-1-ol?
1-(2-ethynylcyclopenten-1-yl)-4-trimethylsilylbut-2-yn-1-ol has a molecular weight of 232.40 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethynylcyclopenten-1-yl)-4-trimethylsilylbut-2-yn-1-ol is sourced from PubChem (CID 134884576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).