4-butyl-1-(2-hex-1-ynylcyclopenten-1-yl)-4-trimethylsilyloct-2-yn-1-ol

C26H44OSi — CID 134884962

IUPAC4-butyl-1-(2-hex-1-ynylcyclopenten-1-yl)-4-trimethylsilyloct-2-yn-1-ol
SMILESCCCCC#CC1=C(C(O)C#CC(CCCC)(CCCC)[Si](C)(C)C)CCC1
InChIInChI=1S/C26H44OSi/c1-7-10-13-14-16-23-17-15-18-24(23)25(27)19-22-26(20-11-8-2,21-12-9-3)28(4,5)6/h25,27H,7-13,15,17-18,20-21H2,1-6H3
InChIKeyYDYHRNZVFDQGIC-UHFFFAOYSA-N
MW400.72 g/mol
LogP7.48
Rot. Bonds10

About 4-butyl-1-(2-hex-1-ynylcyclopenten-1-yl)-4-trimethylsilyloct-2-yn-1-ol

4-butyl-1-(2-hex-1-ynylcyclopenten-1-yl)-4-trimethylsilyloct-2-yn-1-ol (PubChem CID 134884962) has the molecular formula C26H44OSi and a molecular weight of 400.72 g/mol. Its IUPAC name is 4-butyl-1-(2-hex-1-ynylcyclopenten-1-yl)-4-trimethylsilyloct-2-yn-1-ol.

Molecular Properties

Compound Name4-butyl-1-(2-hex-1-ynylcyclopenten-1-yl)-4-trimethylsilyloct-2-yn-1-ol
PubChem CID134884962
Molecular FormulaC26H44OSi
Molecular Weight400.72 g/mol
Exact Mass400.32
IUPAC Name4-butyl-1-(2-hex-1-ynylcyclopenten-1-yl)-4-trimethylsilyloct-2-yn-1-ol
SMILESCCCCC#CC1=C(C(O)C#CC(CCCC)(CCCC)[Si](C)(C)C)CCC1
InChIInChI=1S/C26H44OSi/c1-7-10-13-14-16-23-17-15-18-24(23)25(27)19-22-26(20-11-8-2,21-12-9-3)28(4,5)6/h25,27H,7-13,15,17-18,20-21H2,1-6H3
InChIKeyYDYHRNZVFDQGIC-UHFFFAOYSA-N
XLogP7.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.72
LogP ≤ 57.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Launch Full Analysis

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
1-(2-Ethynylcyclopenten-1-yl)-4-trimethylsilylbut-2-yn-1-ol
CID 134884576
4-Methyl-1-(2-prop-1-ynylcyclopenten-1-yl)-4-trimethylsilylpent-2-yn-1-ol
CID 134897048
Zdjynzkyxacxsf-uhfffaoysa-
CID 44631688
2-Methyl-3-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol
CID 85807164
[(1Z)-7-methylidene-8-tri(propan-2-yl)silyloxycyclododec-1-en-5-yn-1-yl]methanol
CID 9999625
1-(2-Hex-1-ynylcyclopenten-1-yl)-4-methyl-4-trimethylsilylpent-2-yn-1-ol
CID 11067068
(1R,2S)-2-[tert-butyl(dimethyl)silyl]-1-[2-[2-(cyclohexen-1-yl)ethynyl]cyclopenten-1-yl]-4-trimethylsilylbut-3-yn-1-ol
CID 11101999
(1S)-2,4,4-trimethyl-3-(2-trimethylsilylethynyl)cyclohex-2-en-1-ol
CID 11572221
(1R)-2,4,4-trimethyl-3-(2-trimethylsilylethynyl)cyclohex-2-en-1-ol
CID 11665861
1-[2-[2-Tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]hept-2-yn-1-ol
CID 25139389
(1S)-3-butyl-4,4-dimethyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-ol
CID 101624189

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-(2-hex-1-ynylcyclopenten-1-yl)-4-trimethylsilyloct-2-yn-1-ol?
The IUPAC name of 4-butyl-1-(2-hex-1-ynylcyclopenten-1-yl)-4-trimethylsilyloct-2-yn-1-ol (CID 134884962) is 4-butyl-1-(2-hex-1-ynylcyclopenten-1-yl)-4-trimethylsilyloct-2-yn-1-ol.
What is the SMILES notation for 4-butyl-1-(2-hex-1-ynylcyclopenten-1-yl)-4-trimethylsilyloct-2-yn-1-ol?
The canonical SMILES for 4-butyl-1-(2-hex-1-ynylcyclopenten-1-yl)-4-trimethylsilyloct-2-yn-1-ol is CCCCC#CC1=C(C(O)C#CC(CCCC)(CCCC)[Si](C)(C)C)CCC1.
What is the InChIKey of 4-butyl-1-(2-hex-1-ynylcyclopenten-1-yl)-4-trimethylsilyloct-2-yn-1-ol?
The InChIKey is YDYHRNZVFDQGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44OSi/c1-7-10-13-14-16-23-17-15-18-24(23)25(27)19-22-26(20-11-8-2,21-12-9-3)28(4,5)6/h25,27H,7-13,15,17-18,20-21H2,1-6H3.
What are the key properties of 4-butyl-1-(2-hex-1-ynylcyclopenten-1-yl)-4-trimethylsilyloct-2-yn-1-ol?
4-butyl-1-(2-hex-1-ynylcyclopenten-1-yl)-4-trimethylsilyloct-2-yn-1-ol has a molecular weight of 400.72 g/mol, XLogP of 7.48, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-(2-hex-1-ynylcyclopenten-1-yl)-4-trimethylsilyloct-2-yn-1-ol is sourced from PubChem (CID 134884962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).