2-(2,5-dihydroxyphenyl)-2,6-dimethyl-5,6-dihydrocyclopenta[d][1,3]dioxol-4-one

C14H14O5 — CID 58178438

IUPAC2-(2,5-dihydroxyphenyl)-2,6-dimethyl-5,6-dihydrocyclopenta[d][1,3]dioxol-4-one
SMILESCC1CC(=O)C2=C1OC(C)(c1cc(O)ccc1O)O2
InChIInChI=1S/C14H14O5/c1-7-5-11(17)13-12(7)18-14(2,19-13)9-6-8(15)3-4-10(9)16/h3-4,6-7,15-16H,5H2,1-2H3
InChIKeyWODAVYZYESZXFM-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.14
Rot. Bonds1

About 2-(2,5-dihydroxyphenyl)-2,6-dimethyl-5,6-dihydrocyclopenta[d][1,3]dioxol-4-one

2-(2,5-dihydroxyphenyl)-2,6-dimethyl-5,6-dihydrocyclopenta[d][1,3]dioxol-4-one (PubChem CID 58178438) has the molecular formula C14H14O5 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-(2,5-dihydroxyphenyl)-2,6-dimethyl-5,6-dihydrocyclopenta[d][1,3]dioxol-4-one.

Molecular Properties

Compound Name2-(2,5-dihydroxyphenyl)-2,6-dimethyl-5,6-dihydrocyclopenta[d][1,3]dioxol-4-one
PubChem CID58178438
Molecular FormulaC14H14O5
Molecular Weight262.26 g/mol
Exact Mass262.08
IUPAC Name2-(2,5-dihydroxyphenyl)-2,6-dimethyl-5,6-dihydrocyclopenta[d][1,3]dioxol-4-one
SMILESCC1CC(=O)C2=C1OC(C)(c1cc(O)ccc1O)O2
InChIInChI=1S/C14H14O5/c1-7-5-11(17)13-12(7)18-14(2,19-13)9-6-8(15)3-4-10(9)16/h3-4,6-7,15-16H,5H2,1-2H3
InChIKeyWODAVYZYESZXFM-UHFFFAOYSA-N
XLogP2.14
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydroxyphenyl)-2,6-dimethyl-5,6-dihydrocyclopenta[d][1,3]dioxol-4-one?
The IUPAC name of 2-(2,5-dihydroxyphenyl)-2,6-dimethyl-5,6-dihydrocyclopenta[d][1,3]dioxol-4-one (CID 58178438) is 2-(2,5-dihydroxyphenyl)-2,6-dimethyl-5,6-dihydrocyclopenta[d][1,3]dioxol-4-one.
What is the SMILES notation for 2-(2,5-dihydroxyphenyl)-2,6-dimethyl-5,6-dihydrocyclopenta[d][1,3]dioxol-4-one?
The canonical SMILES for 2-(2,5-dihydroxyphenyl)-2,6-dimethyl-5,6-dihydrocyclopenta[d][1,3]dioxol-4-one is CC1CC(=O)C2=C1OC(C)(c1cc(O)ccc1O)O2.
What is the InChIKey of 2-(2,5-dihydroxyphenyl)-2,6-dimethyl-5,6-dihydrocyclopenta[d][1,3]dioxol-4-one?
The InChIKey is WODAVYZYESZXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O5/c1-7-5-11(17)13-12(7)18-14(2,19-13)9-6-8(15)3-4-10(9)16/h3-4,6-7,15-16H,5H2,1-2H3.
What are the key properties of 2-(2,5-dihydroxyphenyl)-2,6-dimethyl-5,6-dihydrocyclopenta[d][1,3]dioxol-4-one?
2-(2,5-dihydroxyphenyl)-2,6-dimethyl-5,6-dihydrocyclopenta[d][1,3]dioxol-4-one has a molecular weight of 262.26 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydroxyphenyl)-2,6-dimethyl-5,6-dihydrocyclopenta[d][1,3]dioxol-4-one is sourced from PubChem (CID 58178438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).