2-ethynyl-4,4-dimethylcyclopent-2-en-1-ol

C9H12O — CID 10975543

IUPAC2-ethynyl-4,4-dimethylcyclopent-2-en-1-ol
SMILESC#CC1=CC(C)(C)CC1O
InChIInChI=1S/C9H12O/c1-4-7-5-9(2,3)6-8(7)10/h1,5,8,10H,6H2,2-3H3
InChIKeyMVVJLDSFPWOYPD-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.34
Rot. Bonds

About 2-ethynyl-4,4-dimethylcyclopent-2-en-1-ol

2-ethynyl-4,4-dimethylcyclopent-2-en-1-ol (PubChem CID 10975543) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 2-ethynyl-4,4-dimethylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name2-ethynyl-4,4-dimethylcyclopent-2-en-1-ol
PubChem CID10975543
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name2-ethynyl-4,4-dimethylcyclopent-2-en-1-ol
SMILESC#CC1=CC(C)(C)CC1O
InChIInChI=1S/C9H12O/c1-4-7-5-9(2,3)6-8(7)10/h1,5,8,10H,6H2,2-3H3
InChIKeyMVVJLDSFPWOYPD-UHFFFAOYSA-N
XLogP1.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethynyl-4,4-dimethylcyclopent-2-en-1-ol?
The IUPAC name of 2-ethynyl-4,4-dimethylcyclopent-2-en-1-ol (CID 10975543) is 2-ethynyl-4,4-dimethylcyclopent-2-en-1-ol.
What is the SMILES notation for 2-ethynyl-4,4-dimethylcyclopent-2-en-1-ol?
The canonical SMILES for 2-ethynyl-4,4-dimethylcyclopent-2-en-1-ol is C#CC1=CC(C)(C)CC1O.
What is the InChIKey of 2-ethynyl-4,4-dimethylcyclopent-2-en-1-ol?
The InChIKey is MVVJLDSFPWOYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-4-7-5-9(2,3)6-8(7)10/h1,5,8,10H,6H2,2-3H3.
What are the key properties of 2-ethynyl-4,4-dimethylcyclopent-2-en-1-ol?
2-ethynyl-4,4-dimethylcyclopent-2-en-1-ol has a molecular weight of 136.19 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-4,4-dimethylcyclopent-2-en-1-ol is sourced from PubChem (CID 10975543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).