2-(3,3-dimethylbut-1-ynyl)-4,4-dimethylcyclopent-2-en-1-ol

C13H20O — CID 11830278

IUPAC2-(3,3-dimethylbut-1-ynyl)-4,4-dimethylcyclopent-2-en-1-ol
SMILESCC(C)(C)C#CC1=CC(C)(C)CC1O
InChIInChI=1S/C13H20O/c1-12(2,3)7-6-10-8-13(4,5)9-11(10)14/h8,11,14H,9H2,1-5H3
InChIKeyRUROEWDHPMSRIT-UHFFFAOYSA-N
MW192.30 g/mol
LogP2.75
Rot. Bonds

About 2-(3,3-dimethylbut-1-ynyl)-4,4-dimethylcyclopent-2-en-1-ol

2-(3,3-dimethylbut-1-ynyl)-4,4-dimethylcyclopent-2-en-1-ol (PubChem CID 11830278) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-(3,3-dimethylbut-1-ynyl)-4,4-dimethylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name2-(3,3-dimethylbut-1-ynyl)-4,4-dimethylcyclopent-2-en-1-ol
PubChem CID11830278
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2-(3,3-dimethylbut-1-ynyl)-4,4-dimethylcyclopent-2-en-1-ol
SMILESCC(C)(C)C#CC1=CC(C)(C)CC1O
InChIInChI=1S/C13H20O/c1-12(2,3)7-6-10-8-13(4,5)9-11(10)14/h8,11,14H,9H2,1-5H3
InChIKeyRUROEWDHPMSRIT-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 52.75
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-(3,3-dimethylbut-1-ynyl)-4,4-dimethylcyclopent-2-en-1-ol?
The IUPAC name of 2-(3,3-dimethylbut-1-ynyl)-4,4-dimethylcyclopent-2-en-1-ol (CID 11830278) is 2-(3,3-dimethylbut-1-ynyl)-4,4-dimethylcyclopent-2-en-1-ol.
What is the SMILES notation for 2-(3,3-dimethylbut-1-ynyl)-4,4-dimethylcyclopent-2-en-1-ol?
The canonical SMILES for 2-(3,3-dimethylbut-1-ynyl)-4,4-dimethylcyclopent-2-en-1-ol is CC(C)(C)C#CC1=CC(C)(C)CC1O.
What is the InChIKey of 2-(3,3-dimethylbut-1-ynyl)-4,4-dimethylcyclopent-2-en-1-ol?
The InChIKey is RUROEWDHPMSRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-12(2,3)7-6-10-8-13(4,5)9-11(10)14/h8,11,14H,9H2,1-5H3.
What are the key properties of 2-(3,3-dimethylbut-1-ynyl)-4,4-dimethylcyclopent-2-en-1-ol?
2-(3,3-dimethylbut-1-ynyl)-4,4-dimethylcyclopent-2-en-1-ol has a molecular weight of 192.30 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbut-1-ynyl)-4,4-dimethylcyclopent-2-en-1-ol is sourced from PubChem (CID 11830278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).