2,5-dimethyl-3,6-dihydro-2H-pyran-6-carbaldehyde

C8H12O2 — CID 88528804

IUPAC2,5-dimethyl-3,6-dihydro-2H-pyran-6-carbaldehyde
SMILESCC1=CCC(C)OC1C=O
InChIInChI=1S/C8H12O2/c1-6-3-4-7(2)10-8(6)5-9/h3,5,7-8H,4H2,1-2H3
InChIKeyRSIASKSVSAVYIU-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.31
Rot. Bonds1

About 2,5-dimethyl-3,6-dihydro-2H-pyran-6-carbaldehyde

2,5-dimethyl-3,6-dihydro-2H-pyran-6-carbaldehyde (PubChem CID 88528804) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2,5-dimethyl-3,6-dihydro-2H-pyran-6-carbaldehyde.

Molecular Properties

Compound Name2,5-dimethyl-3,6-dihydro-2H-pyran-6-carbaldehyde
PubChem CID88528804
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2,5-dimethyl-3,6-dihydro-2H-pyran-6-carbaldehyde
SMILESCC1=CCC(C)OC1C=O
InChIInChI=1S/C8H12O2/c1-6-3-4-7(2)10-8(6)5-9/h3,5,7-8H,4H2,1-2H3
InChIKeyRSIASKSVSAVYIU-UHFFFAOYSA-N
XLogP1.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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 2,5-dimethyl-3,6-dihydro-2H-pyran-6-carbaldehyde?
The IUPAC name of 2,5-dimethyl-3,6-dihydro-2H-pyran-6-carbaldehyde (CID 88528804) is 2,5-dimethyl-3,6-dihydro-2H-pyran-6-carbaldehyde.
What is the SMILES notation for 2,5-dimethyl-3,6-dihydro-2H-pyran-6-carbaldehyde?
The canonical SMILES for 2,5-dimethyl-3,6-dihydro-2H-pyran-6-carbaldehyde is CC1=CCC(C)OC1C=O.
What is the InChIKey of 2,5-dimethyl-3,6-dihydro-2H-pyran-6-carbaldehyde?
The InChIKey is RSIASKSVSAVYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6-3-4-7(2)10-8(6)5-9/h3,5,7-8H,4H2,1-2H3.
What are the key properties of 2,5-dimethyl-3,6-dihydro-2H-pyran-6-carbaldehyde?
2,5-dimethyl-3,6-dihydro-2H-pyran-6-carbaldehyde has a molecular weight of 140.18 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3,6-dihydro-2H-pyran-6-carbaldehyde is sourced from PubChem (CID 88528804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).