2-(4H-cyclopenta[d][1,3]dioxol-4-yl)ethanol

C8H10O3 — CID 141007285

IUPAC2-(4H-cyclopenta[d][1,3]dioxol-4-yl)ethanol
SMILESOCCC1C=CC2=C1OCO2
InChIInChI=1S/C8H10O3/c9-4-3-6-1-2-7-8(6)11-5-10-7/h1-2,6,9H,3-5H2
InChIKeyXFUPGRCOYHAFHC-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.77
Rot. Bonds2

About 2-(4H-cyclopenta[d][1,3]dioxol-4-yl)ethanol

2-(4H-cyclopenta[d][1,3]dioxol-4-yl)ethanol (PubChem CID 141007285) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 2-(4H-cyclopenta[d][1,3]dioxol-4-yl)ethanol.

Molecular Properties

Compound Name2-(4H-cyclopenta[d][1,3]dioxol-4-yl)ethanol
PubChem CID141007285
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name2-(4H-cyclopenta[d][1,3]dioxol-4-yl)ethanol
SMILESOCCC1C=CC2=C1OCO2
InChIInChI=1S/C8H10O3/c9-4-3-6-1-2-7-8(6)11-5-10-7/h1-2,6,9H,3-5H2
InChIKeyXFUPGRCOYHAFHC-UHFFFAOYSA-N
XLogP0.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4H-cyclopenta[d][1,3]dioxol-4-ylmethanol
CID 17872569
(2,2-dimethyl-4H-cyclopenta[d][1,3]dioxol-4-yl)methanol
CID 53833874
(2-ethyl-4H-cyclopenta[d][1,3]dioxol-4-yl)methanol
CID 140389763
2-(4H-cyclopenta[d][1,3]dioxol-4-yl)propan-2-ol
CID 141007282
(2-methyl-4H-cyclopenta[d][1,3]dioxol-4-yl)methanol
CID 141007306
4,5-Dihydro-1,3-benzodioxol-5-ylmethanol
CID 154555493

Frequently Asked Questions

What is the IUPAC name of 2-(4H-cyclopenta[d][1,3]dioxol-4-yl)ethanol?
The IUPAC name of 2-(4H-cyclopenta[d][1,3]dioxol-4-yl)ethanol (CID 141007285) is 2-(4H-cyclopenta[d][1,3]dioxol-4-yl)ethanol.
What is the SMILES notation for 2-(4H-cyclopenta[d][1,3]dioxol-4-yl)ethanol?
The canonical SMILES for 2-(4H-cyclopenta[d][1,3]dioxol-4-yl)ethanol is OCCC1C=CC2=C1OCO2.
What is the InChIKey of 2-(4H-cyclopenta[d][1,3]dioxol-4-yl)ethanol?
The InChIKey is XFUPGRCOYHAFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c9-4-3-6-1-2-7-8(6)11-5-10-7/h1-2,6,9H,3-5H2.
What are the key properties of 2-(4H-cyclopenta[d][1,3]dioxol-4-yl)ethanol?
2-(4H-cyclopenta[d][1,3]dioxol-4-yl)ethanol has a molecular weight of 154.16 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-cyclopenta[d][1,3]dioxol-4-yl)ethanol is sourced from PubChem (CID 141007285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).