5-tert-butyl-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol

C10H18O3 — CID 58051548

IUPAC5-tert-butyl-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
SMILESCC(C)(C)C1C=C(CO)C(O)C1O
InChIInChI=1S/C10H18O3/c1-10(2,3)7-4-6(5-11)8(12)9(7)13/h4,7-9,11-13H,5H2,1-3H3
InChIKeyOZEYLHYKUICKKT-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.30
Rot. Bonds1

About 5-tert-butyl-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol

5-tert-butyl-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol (PubChem CID 58051548) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 5-tert-butyl-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol.

Molecular Properties

Compound Name5-tert-butyl-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
PubChem CID58051548
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name5-tert-butyl-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
SMILESCC(C)(C)C1C=C(CO)C(O)C1O
InChIInChI=1S/C10H18O3/c1-10(2,3)7-4-6(5-11)8(12)9(7)13/h4,7-9,11-13H,5H2,1-3H3
InChIKeyOZEYLHYKUICKKT-UHFFFAOYSA-N
XLogP0.30
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 5-tert-butyl-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol?
The IUPAC name of 5-tert-butyl-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol (CID 58051548) is 5-tert-butyl-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol.
What is the SMILES notation for 5-tert-butyl-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol?
The canonical SMILES for 5-tert-butyl-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol is CC(C)(C)C1C=C(CO)C(O)C1O.
What is the InChIKey of 5-tert-butyl-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol?
The InChIKey is OZEYLHYKUICKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-10(2,3)7-4-6(5-11)8(12)9(7)13/h4,7-9,11-13H,5H2,1-3H3.
What are the key properties of 5-tert-butyl-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol?
5-tert-butyl-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol has a molecular weight of 186.25 g/mol, XLogP of 0.30, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol is sourced from PubChem (CID 58051548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).