2-[(2S,6S)-6-methoxyoxan-2-yl]acetaldehyde

C8H14O3 — CID 130961747

IUPAC2-[(2S,6S)-6-methoxyoxan-2-yl]acetaldehyde
SMILESCO[C@@H]1CCC[C@@H](CC=O)O1
InChIInChI=1S/C8H14O3/c1-10-8-4-2-3-7(11-8)5-6-9/h6-8H,2-5H2,1H3/t7-,8-/m0/s1
InChIKeyLGKPZJUZOQVTKK-YUMQZZPRSA-N
MW158.20 g/mol
LogP1.12
Rot. Bonds3

About 2-[(2S,6S)-6-methoxyoxan-2-yl]acetaldehyde

2-[(2S,6S)-6-methoxyoxan-2-yl]acetaldehyde (PubChem CID 130961747) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-[(2S,6S)-6-methoxyoxan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2S,6S)-6-methoxyoxan-2-yl]acetaldehyde
PubChem CID130961747
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-[(2S,6S)-6-methoxyoxan-2-yl]acetaldehyde
SMILESCO[C@@H]1CCC[C@@H](CC=O)O1
InChIInChI=1S/C8H14O3/c1-10-8-4-2-3-7(11-8)5-6-9/h6-8H,2-5H2,1H3/t7-,8-/m0/s1
InChIKeyLGKPZJUZOQVTKK-YUMQZZPRSA-N
XLogP1.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.12
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

7-(Oxan-2-yloxy)heptanal
CID 182184
(2R)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]propanal
CID 134854754
3-(6-Methyloxan-2-yl)oxypropanal
CID 134861285
4-(Oxan-2-yloxy)decan-2-one
CID 10956192
2-[(2S,6R)-6-methoxyoxan-2-yl]acetaldehyde
CID 15635092
3-[4-(Oxan-2-yloxy)butyl]oxirane-2-carbaldehyde
CID 13853647
(2R,3S)-3-[4-(oxan-2-yloxy)butyl]oxirane-2-carbaldehyde
CID 13853648
rac-3-[(tetrahydro-2H-pyran-2-yl)oxy]tetradecanal
CID 14852577
(R)-3-[(tetrahydro-2H-pyran-2-yl)oxy]tetradecanal
CID 14852578
3-[(2R)-oxan-2-yl]oxytetradecanal
CID 18642971
3-(Oxan-2-yloxy)icosanal
CID 19794682
4-(Oxan-2-yloxy)nonanal
CID 21401684

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6S)-6-methoxyoxan-2-yl]acetaldehyde?
The IUPAC name of 2-[(2S,6S)-6-methoxyoxan-2-yl]acetaldehyde (CID 130961747) is 2-[(2S,6S)-6-methoxyoxan-2-yl]acetaldehyde.
What is the SMILES notation for 2-[(2S,6S)-6-methoxyoxan-2-yl]acetaldehyde?
The canonical SMILES for 2-[(2S,6S)-6-methoxyoxan-2-yl]acetaldehyde is CO[C@@H]1CCC[C@@H](CC=O)O1.
What is the InChIKey of 2-[(2S,6S)-6-methoxyoxan-2-yl]acetaldehyde?
The InChIKey is LGKPZJUZOQVTKK-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H14O3/c1-10-8-4-2-3-7(11-8)5-6-9/h6-8H,2-5H2,1H3/t7-,8-/m0/s1.
What are the key properties of 2-[(2S,6S)-6-methoxyoxan-2-yl]acetaldehyde?
2-[(2S,6S)-6-methoxyoxan-2-yl]acetaldehyde has a molecular weight of 158.20 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6S)-6-methoxyoxan-2-yl]acetaldehyde is sourced from PubChem (CID 130961747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).