1-ethynyl-2-methylcyclopent-2-en-1-ol

C8H10O — CID 166437842

IUPAC1-ethynyl-2-methylcyclopent-2-en-1-ol
SMILESC#CC1(O)CCC=C1C
InChIInChI=1S/C8H10O/c1-3-8(9)6-4-5-7(8)2/h1,5,9H,4,6H2,2H3
InChIKeyJXFYICXRWZEYOG-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.09
Rot. Bonds

About 1-ethynyl-2-methylcyclopent-2-en-1-ol

1-ethynyl-2-methylcyclopent-2-en-1-ol (PubChem CID 166437842) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 1-ethynyl-2-methylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name1-ethynyl-2-methylcyclopent-2-en-1-ol
PubChem CID166437842
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name1-ethynyl-2-methylcyclopent-2-en-1-ol
SMILESC#CC1(O)CCC=C1C
InChIInChI=1S/C8H10O/c1-3-8(9)6-4-5-7(8)2/h1,5,9H,4,6H2,2H3
InChIKeyJXFYICXRWZEYOG-UHFFFAOYSA-N
XLogP1.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2-methyl-1-prop-2-enylcyclopent-2-en-1-ol
CID 101354191
(3S,3aS,7aR)-3,7,7a-trimethyl-3-prop-1-en-2-yl-1,2,4,5-tetrahydroinden-3a-ol
CID 50901921
(2,6,6-trimethyl-1-propylcyclohex-2-en-1-yl)methanol
CID 57314612
1-ethynyl-2-(2-methoxyethoxymethoxy)cyclohex-2-en-1-ol
CID 14139825
2,3,3,4-tetramethylcyclohepta-1,4-diene
CID 121218571
[(1S)-1,2-dimethylcyclopent-2-en-1-yl] acetate
CID 175827956
1-methylcyclopent-2-ene-1,2-diol
CID 70255213
2,6,6-trimethyl-1-[3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]cyclohex-2-en-1-ol
CID 71401687
1-ethynylcyclopent-2-en-1-ol
CID 13184286
1-ethynyl-3,4-dihydro-2H-naphthalen-1-ol
CID 12840344
(1,2-dimethylcyclopent-2-en-1-yl)benzene
CID 18943784
(4Z)-1,5-dimethylcyclooct-4-en-1-ol
CID 14267333

Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-2-methylcyclopent-2-en-1-ol?
The IUPAC name of 1-ethynyl-2-methylcyclopent-2-en-1-ol (CID 166437842) is 1-ethynyl-2-methylcyclopent-2-en-1-ol.
What is the SMILES notation for 1-ethynyl-2-methylcyclopent-2-en-1-ol?
The canonical SMILES for 1-ethynyl-2-methylcyclopent-2-en-1-ol is C#CC1(O)CCC=C1C.
What is the InChIKey of 1-ethynyl-2-methylcyclopent-2-en-1-ol?
The InChIKey is JXFYICXRWZEYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-3-8(9)6-4-5-7(8)2/h1,5,9H,4,6H2,2H3.
What are the key properties of 1-ethynyl-2-methylcyclopent-2-en-1-ol?
1-ethynyl-2-methylcyclopent-2-en-1-ol has a molecular weight of 122.17 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-2-methylcyclopent-2-en-1-ol is sourced from PubChem (CID 166437842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).