6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde

C9H14O2 — CID 75089034

IUPAC6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde
SMILESCCC1OC(C=O)CC=C1C
InChIInChI=1S/C9H14O2/c1-3-9-7(2)4-5-8(6-10)11-9/h4,6,8-9H,3,5H2,1-2H3
InChIKeyPBIYXBHWIVZWRX-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.70
Rot. Bonds2

About 6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde

6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde (PubChem CID 75089034) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde.

Molecular Properties

Compound Name6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde
PubChem CID75089034
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde
SMILESCCC1OC(C=O)CC=C1C
InChIInChI=1S/C9H14O2/c1-3-9-7(2)4-5-8(6-10)11-9/h4,6,8-9H,3,5H2,1-2H3
InChIKeyPBIYXBHWIVZWRX-UHFFFAOYSA-N
XLogP1.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.70
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 6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde?
The IUPAC name of 6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde (CID 75089034) is 6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde.
What is the SMILES notation for 6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde?
The canonical SMILES for 6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde is CCC1OC(C=O)CC=C1C.
What is the InChIKey of 6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde?
The InChIKey is PBIYXBHWIVZWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-9-7(2)4-5-8(6-10)11-9/h4,6,8-9H,3,5H2,1-2H3.
What are the key properties of 6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde?
6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde has a molecular weight of 154.21 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde is sourced from PubChem (CID 75089034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).