(3R)-3-methyl-2-oxooxolane-3-carbaldehyde

C6H8O3 — CID 95003018

IUPAC(3R)-3-methyl-2-oxooxolane-3-carbaldehyde
SMILESC[C@]1(C=O)CCOC1=O
InChIInChI=1S/C6H8O3/c1-6(4-7)2-3-9-5(6)8/h4H,2-3H2,1H3/t6-/m1/s1
InChIKeyYDXSEFRDFYVFSA-ZCFIWIBFSA-N
MW128.13 g/mol
LogP0.14
Rot. Bonds1

About (3R)-3-methyl-2-oxooxolane-3-carbaldehyde

(3R)-3-methyl-2-oxooxolane-3-carbaldehyde (PubChem CID 95003018) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is (3R)-3-methyl-2-oxooxolane-3-carbaldehyde.

Molecular Properties

Compound Name(3R)-3-methyl-2-oxooxolane-3-carbaldehyde
PubChem CID95003018
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name(3R)-3-methyl-2-oxooxolane-3-carbaldehyde
SMILESC[C@]1(C=O)CCOC1=O
InChIInChI=1S/C6H8O3/c1-6(4-7)2-3-9-5(6)8/h4H,2-3H2,1H3/t6-/m1/s1
InChIKeyYDXSEFRDFYVFSA-ZCFIWIBFSA-N
XLogP0.14
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-oxooxolane-3-carbaldehyde
CID 14926892
(3S)-3-bromo-3-methyloxolan-2-one
CID 15939456
3-(aminomethyl)-3-methyloxolan-2-one
CID 90431319
(3S)-3-methyl-3-[(E)-2-nitroethenyl]oxan-2-one
CID 10976182
(3R)-3-methyl-3-[10-[(3R)-3-methyl-2-oxooxolan-3-yl]decyl]oxolan-2-one
CID 129405766
3,3-dimethyl-oxacyclopentadecan-2-one
CID 71147227
3-methyl-3-[(Z)-5-methylhex-2-enyl]oxolan-2-one
CID 67952223
(3R)-3-hydroxy-3-methyloxan-2-one
CID 122221331
N-(3-methyl-2-oxooxolan-3-yl)acetamide
CID 551291
(3R)-3-azido-3-methyloxolan-2-one
CID 23562298
3-methyl-3-phenyloxolan-2-one
CID 15937425
(3R)-3-ethyl-3-hydroxyoxolan-2-one
CID 100940075

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-2-oxooxolane-3-carbaldehyde?
The IUPAC name of (3R)-3-methyl-2-oxooxolane-3-carbaldehyde (CID 95003018) is (3R)-3-methyl-2-oxooxolane-3-carbaldehyde.
What is the SMILES notation for (3R)-3-methyl-2-oxooxolane-3-carbaldehyde?
The canonical SMILES for (3R)-3-methyl-2-oxooxolane-3-carbaldehyde is C[C@]1(C=O)CCOC1=O.
What is the InChIKey of (3R)-3-methyl-2-oxooxolane-3-carbaldehyde?
The InChIKey is YDXSEFRDFYVFSA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H8O3/c1-6(4-7)2-3-9-5(6)8/h4H,2-3H2,1H3/t6-/m1/s1.
What are the key properties of (3R)-3-methyl-2-oxooxolane-3-carbaldehyde?
(3R)-3-methyl-2-oxooxolane-3-carbaldehyde has a molecular weight of 128.13 g/mol, XLogP of 0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-2-oxooxolane-3-carbaldehyde is sourced from PubChem (CID 95003018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).