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

C9H14O3 — CID 11182879

IUPAC(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde
SMILESCC(C)O[C@H]1C=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-/m1/s1
InChIKeyIFEUPCYOBQTWRH-RKDXNWHRSA-N
MW170.21 g/mol
LogP1.28
Rot. Bonds3

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

(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde (PubChem CID 11182879) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde.

Molecular Properties

Compound Name(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde
PubChem CID11182879
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde
SMILESCC(C)O[C@H]1C=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-/m1/s1
InChIKeyIFEUPCYOBQTWRH-RKDXNWHRSA-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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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde?
The IUPAC name of (2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde (CID 11182879) is (2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde.
What is the SMILES notation for (2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde?
The canonical SMILES for (2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde is CC(C)O[C@H]1C=CC[C@H](C=O)O1.
What is the InChIKey of (2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde?
The InChIKey is IFEUPCYOBQTWRH-RKDXNWHRSA-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-/m1/s1.
What are the key properties of (2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde?
(2R,6R)-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 (2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde is sourced from PubChem (CID 11182879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).