2-[(2R,6R)-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetaldehyde

C8H12O2 — CID 162412184

IUPAC2-[(2R,6R)-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetaldehyde
SMILESC[C@@H]1CC=C[C@@H](CC=O)O1
InChIInChI=1S/C8H12O2/c1-7-3-2-4-8(10-7)5-6-9/h2,4,6-8H,3,5H2,1H3/t7-,8+/m1/s1
InChIKeyNDKLQHBYJUGVBS-SFYZADRCSA-N
MW140.18 g/mol
LogP1.31
Rot. Bonds2

About 2-[(2R,6R)-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetaldehyde

2-[(2R,6R)-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetaldehyde (PubChem CID 162412184) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-[(2R,6R)-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2R,6R)-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetaldehyde
PubChem CID162412184
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-[(2R,6R)-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetaldehyde
SMILESC[C@@H]1CC=C[C@@H](CC=O)O1
InChIInChI=1S/C8H12O2/c1-7-3-2-4-8(10-7)5-6-9/h2,4,6-8H,3,5H2,1H3/t7-,8+/m1/s1
InChIKeyNDKLQHBYJUGVBS-SFYZADRCSA-N
XLogP1.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6R)-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetaldehyde?
The IUPAC name of 2-[(2R,6R)-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetaldehyde (CID 162412184) is 2-[(2R,6R)-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetaldehyde.
What is the SMILES notation for 2-[(2R,6R)-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetaldehyde?
The canonical SMILES for 2-[(2R,6R)-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetaldehyde is C[C@@H]1CC=C[C@@H](CC=O)O1.
What is the InChIKey of 2-[(2R,6R)-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetaldehyde?
The InChIKey is NDKLQHBYJUGVBS-SFYZADRCSA-N. The full InChI is InChI=1S/C8H12O2/c1-7-3-2-4-8(10-7)5-6-9/h2,4,6-8H,3,5H2,1H3/t7-,8+/m1/s1.
What are the key properties of 2-[(2R,6R)-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetaldehyde?
2-[(2R,6R)-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetaldehyde has a molecular weight of 140.18 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6R)-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetaldehyde is sourced from PubChem (CID 162412184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).