2-(1,4-oxathian-2-yl)acetaldehyde

C6H10O2S — CID 10396960

IUPAC2-(1,4-oxathian-2-yl)acetaldehyde
SMILESO=CCC1CSCCO1
InChIInChI=1S/C6H10O2S/c7-2-1-6-5-9-4-3-8-6/h2,6H,1,3-5H2
InChIKeyVQVYUHKCNNJRGH-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.71
Rot. Bonds2

About 2-(1,4-oxathian-2-yl)acetaldehyde

2-(1,4-oxathian-2-yl)acetaldehyde (PubChem CID 10396960) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 2-(1,4-oxathian-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1,4-oxathian-2-yl)acetaldehyde
PubChem CID10396960
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name2-(1,4-oxathian-2-yl)acetaldehyde
SMILESO=CCC1CSCCO1
InChIInChI=1S/C6H10O2S/c7-2-1-6-5-9-4-3-8-6/h2,6H,1,3-5H2
InChIKeyVQVYUHKCNNJRGH-UHFFFAOYSA-N
XLogP0.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,4-oxathian-2-yl)acetic acid
CID 83669412
2-(oxetan-2-yl)acetaldehyde
CID 53346577
2-[(2S)-oxetan-2-yl]acetaldehyde
CID 124631667
2-(2-methylpropyl)-1,4-oxathiane
CID 172588636
(2S)-1,4-oxathian-2-ol
CID 124507485
1,4-oxathiane-2-thiol
CID 57449077
1,7,11-trioxa-4,14-dithiacycloheptadec-2-ylmethanol
CID 59106273
2-(4-prop-2-enylmorpholin-2-yl)acetaldehyde
CID 173469900
2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 79966199
2-[4-(2-morpholin-2-ylacetyl)thiomorpholin-3-yl]acetic acid
CID 66428343
(1S)-1-(1,4-oxathian-2-yl)propan-1-amine
CID 104932260
3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 79965718

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-oxathian-2-yl)acetaldehyde?
The IUPAC name of 2-(1,4-oxathian-2-yl)acetaldehyde (CID 10396960) is 2-(1,4-oxathian-2-yl)acetaldehyde.
What is the SMILES notation for 2-(1,4-oxathian-2-yl)acetaldehyde?
The canonical SMILES for 2-(1,4-oxathian-2-yl)acetaldehyde is O=CCC1CSCCO1.
What is the InChIKey of 2-(1,4-oxathian-2-yl)acetaldehyde?
The InChIKey is VQVYUHKCNNJRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c7-2-1-6-5-9-4-3-8-6/h2,6H,1,3-5H2.
What are the key properties of 2-(1,4-oxathian-2-yl)acetaldehyde?
2-(1,4-oxathian-2-yl)acetaldehyde has a molecular weight of 146.21 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-oxathian-2-yl)acetaldehyde is sourced from PubChem (CID 10396960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).