2-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropanal

C9H14O2 — CID 86640447

IUPAC2-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropanal
SMILESCC(C)(C=O)C1=CCOCC1
InChIInChI=1S/C9H14O2/c1-9(2,7-10)8-3-5-11-6-4-8/h3,7H,4-6H2,1-2H3
InChIKeyBZMUAGHESBLXIZ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.56
Rot. Bonds2

About 2-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropanal

2-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropanal (PubChem CID 86640447) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropanal.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropanal
PubChem CID86640447
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropanal
SMILESCC(C)(C=O)C1=CCOCC1
InChIInChI=1S/C9H14O2/c1-9(2,7-10)8-3-5-11-6-4-8/h3,7H,4-6H2,1-2H3
InChIKeyBZMUAGHESBLXIZ-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
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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Related Compounds

2-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-propionic acid ethyl ester
CID 67296960
3-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-butyraldehyde
CID 86640448
methyl 2-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropanoate
CID 89693043
2-(3,6-dihydro-2H-pyran-4-yl)propanal
CID 91285053

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropanal?
The IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropanal (CID 86640447) is 2-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropanal.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropanal?
The canonical SMILES for 2-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropanal is CC(C)(C=O)C1=CCOCC1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropanal?
The InChIKey is BZMUAGHESBLXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-9(2,7-10)8-3-5-11-6-4-8/h3,7H,4-6H2,1-2H3.
What are the key properties of 2-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropanal?
2-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropanal has a molecular weight of 154.21 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropanal is sourced from PubChem (CID 86640447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).