4-methyl-1-(2-prop-1-ynylcyclopenten-1-yl)-4-trimethylsilylpent-2-yn-1-ol

C17H26OSi — CID 134897048

IUPAC4-methyl-1-(2-prop-1-ynylcyclopenten-1-yl)-4-trimethylsilylpent-2-yn-1-ol
SMILESCC#CC1=C(C(O)C#CC(C)(C)[Si](C)(C)C)CCC1
InChIInChI=1S/C17H26OSi/c1-7-9-14-10-8-11-15(14)16(18)12-13-17(2,3)19(4,5)6/h16,18H,8,10-11H2,1-6H3
InChIKeyTXGHYTAKAGNBME-UHFFFAOYSA-N
MW274.48 g/mol
LogP3.97
Rot. Bonds2

About 4-methyl-1-(2-prop-1-ynylcyclopenten-1-yl)-4-trimethylsilylpent-2-yn-1-ol

4-methyl-1-(2-prop-1-ynylcyclopenten-1-yl)-4-trimethylsilylpent-2-yn-1-ol (PubChem CID 134897048) has the molecular formula C17H26OSi and a molecular weight of 274.48 g/mol. Its IUPAC name is 4-methyl-1-(2-prop-1-ynylcyclopenten-1-yl)-4-trimethylsilylpent-2-yn-1-ol.

Molecular Properties

Compound Name4-methyl-1-(2-prop-1-ynylcyclopenten-1-yl)-4-trimethylsilylpent-2-yn-1-ol
PubChem CID134897048
Molecular FormulaC17H26OSi
Molecular Weight274.48 g/mol
Exact Mass274.18
IUPAC Name4-methyl-1-(2-prop-1-ynylcyclopenten-1-yl)-4-trimethylsilylpent-2-yn-1-ol
SMILESCC#CC1=C(C(O)C#CC(C)(C)[Si](C)(C)C)CCC1
InChIInChI=1S/C17H26OSi/c1-7-9-14-10-8-11-15(14)16(18)12-13-17(2,3)19(4,5)6/h16,18H,8,10-11H2,1-6H3
InChIKeyTXGHYTAKAGNBME-UHFFFAOYSA-N
XLogP3.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 53.97
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)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-ol
CID 11459757
(1s,2r)-2-(t-Butyldimethylsilyl)-1-[2-(3-methyl-3-buten-1-ynyl)-1-cyclopentenyl]-4-(trimethylsilyl)-3-butyn-1-ol
CID 101997623
(6E)-2,6-dimethyl-11-trimethylsilylundeca-1,6-dien-10-yn-3-ol
CID 122380458
1-(2-Ethynylcyclopenten-1-yl)-4-trimethylsilylbut-2-yn-1-ol
CID 134884576
4-Butyl-1-(2-hex-1-ynylcyclopenten-1-yl)-4-trimethylsilyloct-2-yn-1-ol
CID 134884962
[5-[Tert-butyl(dimethyl)silyl]oxy-2-methylcyclopenten-1-yl]methanol
CID 11118241
2-Methyl-3-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol
CID 85807164
3-((Trimethylsilyl)ethynyl)cyclopent-2-en-1-ol
CID 85898751
[(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
(6E)-2,6-dimethyl-12-trimethylsilyldodeca-1,6-dien-10-yn-3-ol
CID 10516758
1-(2-Hex-1-ynylcyclopenten-1-yl)-4-methyl-4-trimethylsilylpent-2-yn-1-ol
CID 11067068

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-prop-1-ynylcyclopenten-1-yl)-4-trimethylsilylpent-2-yn-1-ol?
The IUPAC name of 4-methyl-1-(2-prop-1-ynylcyclopenten-1-yl)-4-trimethylsilylpent-2-yn-1-ol (CID 134897048) is 4-methyl-1-(2-prop-1-ynylcyclopenten-1-yl)-4-trimethylsilylpent-2-yn-1-ol.
What is the SMILES notation for 4-methyl-1-(2-prop-1-ynylcyclopenten-1-yl)-4-trimethylsilylpent-2-yn-1-ol?
The canonical SMILES for 4-methyl-1-(2-prop-1-ynylcyclopenten-1-yl)-4-trimethylsilylpent-2-yn-1-ol is CC#CC1=C(C(O)C#CC(C)(C)[Si](C)(C)C)CCC1.
What is the InChIKey of 4-methyl-1-(2-prop-1-ynylcyclopenten-1-yl)-4-trimethylsilylpent-2-yn-1-ol?
The InChIKey is TXGHYTAKAGNBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26OSi/c1-7-9-14-10-8-11-15(14)16(18)12-13-17(2,3)19(4,5)6/h16,18H,8,10-11H2,1-6H3.
What are the key properties of 4-methyl-1-(2-prop-1-ynylcyclopenten-1-yl)-4-trimethylsilylpent-2-yn-1-ol?
4-methyl-1-(2-prop-1-ynylcyclopenten-1-yl)-4-trimethylsilylpent-2-yn-1-ol has a molecular weight of 274.48 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-prop-1-ynylcyclopenten-1-yl)-4-trimethylsilylpent-2-yn-1-ol is sourced from PubChem (CID 134897048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).