(2R)-oxane-2-carbaldehyde

C6H10O2 — CID 12648700

IUPAC(2R)-oxane-2-carbaldehyde
SMILESO=C[C@H]1CCCCO1
InChIInChI=1S/C6H10O2/c7-5-6-3-1-2-4-8-6/h5-6H,1-4H2/t6-/m1/s1
InChIKeyXEZQLSOFXLPSJR-ZCFIWIBFSA-N
MW114.14 g/mol
LogP0.75
Rot. Bonds1

About (2R)-oxane-2-carbaldehyde

(2R)-oxane-2-carbaldehyde (PubChem CID 12648700) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (2R)-oxane-2-carbaldehyde.

Molecular Properties

Compound Name(2R)-oxane-2-carbaldehyde
PubChem CID12648700
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(2R)-oxane-2-carbaldehyde
SMILESO=C[C@H]1CCCCO1
InChIInChI=1S/C6H10O2/c7-5-6-3-1-2-4-8-6/h5-6H,1-4H2/t6-/m1/s1
InChIKeyXEZQLSOFXLPSJR-ZCFIWIBFSA-N
XLogP0.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;oxolane-2-carbaldehyde
CID 142055620
1,2-dioxacyclododecane-3-carbaldehyde
CID 91802792
trioxecane-4-carbaldehyde
CID 91802201
(2R)-2-[(E)-2-nitroethenyl]oxane
CID 124677206
1,4-oxazepane-7-carbaldehyde
CID 152939152
2-buta-1,3-dienyloxane
CID 150390930
2-but-1-enyloxane
CID 54120972
4-[(E)-2-(oxan-2-yl)ethenyl]piperidine
CID 126844589
4-(oxan-2-ylmethylidene)piperidine;hydrochloride
CID 126844590
2-[(E)-prop-1-enyl]oxolane
CID 12508233
1,4-dioxane-2,3-dicarbaldehyde
CID 150021643
oxirane-2-carbaldehyde;silane
CID 173157957

Frequently Asked Questions

What is the IUPAC name of (2R)-oxane-2-carbaldehyde?
The IUPAC name of (2R)-oxane-2-carbaldehyde (CID 12648700) is (2R)-oxane-2-carbaldehyde.
What is the SMILES notation for (2R)-oxane-2-carbaldehyde?
The canonical SMILES for (2R)-oxane-2-carbaldehyde is O=C[C@H]1CCCCO1.
What is the InChIKey of (2R)-oxane-2-carbaldehyde?
The InChIKey is XEZQLSOFXLPSJR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H10O2/c7-5-6-3-1-2-4-8-6/h5-6H,1-4H2/t6-/m1/s1.
What are the key properties of (2R)-oxane-2-carbaldehyde?
(2R)-oxane-2-carbaldehyde has a molecular weight of 114.14 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-oxane-2-carbaldehyde is sourced from PubChem (CID 12648700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).