(5R)-5-(hydroxymethyl)-2-methyl-3-oxocyclopentene-1-carbaldehyde

C8H10O3 — CID 102026666

IUPAC(5R)-5-(hydroxymethyl)-2-methyl-3-oxocyclopentene-1-carbaldehyde
SMILESCC1=C(C=O)[C@H](CO)CC1=O
InChIInChI=1S/C8H10O3/c1-5-7(4-10)6(3-9)2-8(5)11/h4,6,9H,2-3H2,1H3/t6-/m0/s1
InChIKeyQOXCVTFNHJSZTG-LURJTMIESA-N
MW154.17 g/mol
LogP0.08
Rot. Bonds2

About (5R)-5-(hydroxymethyl)-2-methyl-3-oxocyclopentene-1-carbaldehyde

(5R)-5-(hydroxymethyl)-2-methyl-3-oxocyclopentene-1-carbaldehyde (PubChem CID 102026666) has the molecular formula C8H10O3 and a molecular weight of 154.17 g/mol. Its IUPAC name is (5R)-5-(hydroxymethyl)-2-methyl-3-oxocyclopentene-1-carbaldehyde.

Molecular Properties

Compound Name(5R)-5-(hydroxymethyl)-2-methyl-3-oxocyclopentene-1-carbaldehyde
PubChem CID102026666
Molecular FormulaC8H10O3
Molecular Weight154.17 g/mol
Exact Mass154.06
IUPAC Name(5R)-5-(hydroxymethyl)-2-methyl-3-oxocyclopentene-1-carbaldehyde
SMILESCC1=C(C=O)[C@H](CO)CC1=O
InChIInChI=1S/C8H10O3/c1-5-7(4-10)6(3-9)2-8(5)11/h4,6,9H,2-3H2,1H3/t6-/m0/s1
InChIKeyQOXCVTFNHJSZTG-LURJTMIESA-N
XLogP0.08
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(hydroxymethyl)-2-methyl-3-oxocyclopentene-1-carbaldehyde?
The IUPAC name of (5R)-5-(hydroxymethyl)-2-methyl-3-oxocyclopentene-1-carbaldehyde (CID 102026666) is (5R)-5-(hydroxymethyl)-2-methyl-3-oxocyclopentene-1-carbaldehyde.
What is the SMILES notation for (5R)-5-(hydroxymethyl)-2-methyl-3-oxocyclopentene-1-carbaldehyde?
The canonical SMILES for (5R)-5-(hydroxymethyl)-2-methyl-3-oxocyclopentene-1-carbaldehyde is CC1=C(C=O)[C@H](CO)CC1=O.
What is the InChIKey of (5R)-5-(hydroxymethyl)-2-methyl-3-oxocyclopentene-1-carbaldehyde?
The InChIKey is QOXCVTFNHJSZTG-LURJTMIESA-N. The full InChI is InChI=1S/C8H10O3/c1-5-7(4-10)6(3-9)2-8(5)11/h4,6,9H,2-3H2,1H3/t6-/m0/s1.
What are the key properties of (5R)-5-(hydroxymethyl)-2-methyl-3-oxocyclopentene-1-carbaldehyde?
(5R)-5-(hydroxymethyl)-2-methyl-3-oxocyclopentene-1-carbaldehyde has a molecular weight of 154.17 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(hydroxymethyl)-2-methyl-3-oxocyclopentene-1-carbaldehyde is sourced from PubChem (CID 102026666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).