2-[(3S)-oxolan-3-yl]acetaldehyde

C6H10O2 — CID 96644666

IUPAC2-[(3S)-oxolan-3-yl]acetaldehyde
SMILESO=CC[C@@H]1CCOC1
InChIInChI=1S/C6H10O2/c7-3-1-6-2-4-8-5-6/h3,6H,1-2,4-5H2/t6-/m1/s1
InChIKeyLWVRZPPVMAXVMJ-ZCFIWIBFSA-N
MW114.14 g/mol
LogP0.61
Rot. Bonds2

About 2-[(3S)-oxolan-3-yl]acetaldehyde

2-[(3S)-oxolan-3-yl]acetaldehyde (PubChem CID 96644666) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2-[(3S)-oxolan-3-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(3S)-oxolan-3-yl]acetaldehyde
PubChem CID96644666
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2-[(3S)-oxolan-3-yl]acetaldehyde
SMILESO=CC[C@@H]1CCOC1
InChIInChI=1S/C6H10O2/c7-3-1-6-2-4-8-5-6/h3,6H,1-2,4-5H2/t6-/m1/s1
InChIKeyLWVRZPPVMAXVMJ-ZCFIWIBFSA-N
XLogP0.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-oxolan-3-yl]acetaldehyde?
The IUPAC name of 2-[(3S)-oxolan-3-yl]acetaldehyde (CID 96644666) is 2-[(3S)-oxolan-3-yl]acetaldehyde.
What is the SMILES notation for 2-[(3S)-oxolan-3-yl]acetaldehyde?
The canonical SMILES for 2-[(3S)-oxolan-3-yl]acetaldehyde is O=CC[C@@H]1CCOC1.
What is the InChIKey of 2-[(3S)-oxolan-3-yl]acetaldehyde?
The InChIKey is LWVRZPPVMAXVMJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H10O2/c7-3-1-6-2-4-8-5-6/h3,6H,1-2,4-5H2/t6-/m1/s1.
What are the key properties of 2-[(3S)-oxolan-3-yl]acetaldehyde?
2-[(3S)-oxolan-3-yl]acetaldehyde has a molecular weight of 114.14 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-oxolan-3-yl]acetaldehyde is sourced from PubChem (CID 96644666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).