(2S)-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde

C7H10O2 — CID 11018871

IUPAC(2S)-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde
SMILESCC1=CCO[C@H](C=O)C1
InChIInChI=1S/C7H10O2/c1-6-2-3-9-7(4-6)5-8/h2,5,7H,3-4H2,1H3/t7-/m0/s1
InChIKeyXVOBRVYBCPPREW-ZETCQYMHSA-N
MW126.15 g/mol
LogP0.92
Rot. Bonds1

About (2S)-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde

(2S)-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde (PubChem CID 11018871) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (2S)-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde.

Molecular Properties

Compound Name(2S)-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde
PubChem CID11018871
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(2S)-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde
SMILESCC1=CCO[C@H](C=O)C1
InChIInChI=1S/C7H10O2/c1-6-2-3-9-7(4-6)5-8/h2,5,7H,3-4H2,1H3/t7-/m0/s1
InChIKeyXVOBRVYBCPPREW-ZETCQYMHSA-N
XLogP0.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.92
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 (2S)-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde?
The IUPAC name of (2S)-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde (CID 11018871) is (2S)-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde.
What is the SMILES notation for (2S)-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde?
The canonical SMILES for (2S)-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde is CC1=CCO[C@H](C=O)C1.
What is the InChIKey of (2S)-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde?
The InChIKey is XVOBRVYBCPPREW-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H10O2/c1-6-2-3-9-7(4-6)5-8/h2,5,7H,3-4H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde?
(2S)-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde has a molecular weight of 126.15 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde is sourced from PubChem (CID 11018871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).