2,4-dimethylcyclobut-2-en-1-ol

C6H10O — CID 173489444

IUPAC2,4-dimethylcyclobut-2-en-1-ol
SMILESCC1=CC(C)C1O
InChIInChI=1S/C6H10O/c1-4-3-5(2)6(4)7/h3-4,6-7H,1-2H3
InChIKeyJAWPAKDXPLWHRZ-UHFFFAOYSA-N
MW98.14 g/mol
LogP0.94
Rot. Bonds

About 2,4-dimethylcyclobut-2-en-1-ol

2,4-dimethylcyclobut-2-en-1-ol (PubChem CID 173489444) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 2,4-dimethylcyclobut-2-en-1-ol.

Molecular Properties

Compound Name2,4-dimethylcyclobut-2-en-1-ol
PubChem CID173489444
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name2,4-dimethylcyclobut-2-en-1-ol
SMILESCC1=CC(C)C1O
InChIInChI=1S/C6H10O/c1-4-3-5(2)6(4)7/h3-4,6-7H,1-2H3
InChIKeyJAWPAKDXPLWHRZ-UHFFFAOYSA-N
XLogP0.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylcyclobut-2-en-1-ol?
The IUPAC name of 2,4-dimethylcyclobut-2-en-1-ol (CID 173489444) is 2,4-dimethylcyclobut-2-en-1-ol.
What is the SMILES notation for 2,4-dimethylcyclobut-2-en-1-ol?
The canonical SMILES for 2,4-dimethylcyclobut-2-en-1-ol is CC1=CC(C)C1O.
What is the InChIKey of 2,4-dimethylcyclobut-2-en-1-ol?
The InChIKey is JAWPAKDXPLWHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-4-3-5(2)6(4)7/h3-4,6-7H,1-2H3.
What are the key properties of 2,4-dimethylcyclobut-2-en-1-ol?
2,4-dimethylcyclobut-2-en-1-ol has a molecular weight of 98.14 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylcyclobut-2-en-1-ol is sourced from PubChem (CID 173489444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).