(2S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde

C9H14O3 — CID 102505419

IUPAC(2S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde
SMILESCC(C)OC1C=CC[C@@H](C=O)O1
InChIInChI=1S/C9H14O3/c1-7(2)11-9-5-3-4-8(6-10)12-9/h3,5-9H,4H2,1-2H3/t8-,9?/m0/s1
InChIKeyIFEUPCYOBQTWRH-IENPIDJESA-N
MW170.21 g/mol
LogP1.28
Rot. Bonds3

About (2S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde

(2S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde (PubChem CID 102505419) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (2S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde.

Molecular Properties

Compound Name(2S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde
PubChem CID102505419
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(2S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde
SMILESCC(C)OC1C=CC[C@@H](C=O)O1
InChIInChI=1S/C9H14O3/c1-7(2)11-9-5-3-4-8(6-10)12-9/h3,5-9H,4H2,1-2H3/t8-,9?/m0/s1
InChIKeyIFEUPCYOBQTWRH-IENPIDJESA-N
XLogP1.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]propan-2-one
CID 11252604
(2S,6S)-2-(chloromethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran
CID 11321441
(E,3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-8-trimethylsilyloct-1-en-7-yne-3,4-diol
CID 66524636
2,3-dihydrofuran-2-carbaldehyde
CID 19878863
(3S,4R,5R,6S,7R,8E,10E,13R,14Z,16E)-4-[tert-butyl(dimethyl)silyl]oxy-15-ethyl-3,5,7,9,13-pentamethyl-17-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]heptadeca-8,10,14,16-tetraen-6-ol
CID 11273549
(2S)-2-propan-2-yloxy-2H-pyran-5-one
CID 93493317
(2R,3S,6S)-3-isocyanato-2-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran
CID 10631787
(3R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-amine
CID 45090953
5-methylcyclopent-2-ene-1-carbaldehyde
CID 75994699
[(3R,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] methanesulfonate
CID 101167955
(3R,4Z,6E)-5-ethyl-3-methyl-7-[(2S,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hepta-4,6-dienal
CID 11174258
(6-pent-1-yn-3-yloxy-3,6-dihydro-2H-pyran-2-yl)methoxymethanol
CID 143081094

Frequently Asked Questions

What is the IUPAC name of (2S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde?
The IUPAC name of (2S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde (CID 102505419) is (2S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde.
What is the SMILES notation for (2S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde?
The canonical SMILES for (2S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde is CC(C)OC1C=CC[C@@H](C=O)O1.
What is the InChIKey of (2S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde?
The InChIKey is IFEUPCYOBQTWRH-IENPIDJESA-N. The full InChI is InChI=1S/C9H14O3/c1-7(2)11-9-5-3-4-8(6-10)12-9/h3,5-9H,4H2,1-2H3/t8-,9?/m0/s1.
What are the key properties of (2S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde?
(2S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde has a molecular weight of 170.21 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde is sourced from PubChem (CID 102505419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).