1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)propan-1-one

C11H18O4 — CID 102927352

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)propan-1-one
SMILESCOCCOCCC(=O)C1=COCCC1
InChIInChI=1S/C11H18O4/c1-13-7-8-14-6-4-11(12)10-3-2-5-15-9-10/h9H,2-8H2,1H3
InChIKeyQAFPFBZTNYQQAY-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.30
Rot. Bonds7

About 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)propan-1-one

1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)propan-1-one (PubChem CID 102927352) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)propan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)propan-1-one
PubChem CID102927352
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)propan-1-one
SMILESCOCCOCCC(=O)C1=COCCC1
InChIInChI=1S/C11H18O4/c1-13-7-8-14-6-4-11(12)10-3-2-5-15-9-10/h9H,2-8H2,1H3
InChIKeyQAFPFBZTNYQQAY-UHFFFAOYSA-N
XLogP1.30
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(2-Methoxyethoxy)-2-methylhept-1-en-3-one
CID 118214466
1-(1,4-Dioxan-2-yl)-3-methylidenehexan-2-one
CID 174873894
1-(3,4-dihydro-2H-pyran-5-yl)-2-methylprop-2-en-1-one
CID 12141344
1-(2-Methoxyethoxy)-5-methylideneheptan-3-one
CID 102927346
1-(2-Methoxyethoxy)-6-methylhept-6-en-3-one
CID 102927493
1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one
CID 104058242
1-(3,4-dihydro-2H-pyran-5-yl)butan-1-one
CID 104058245
1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxypropan-1-one
CID 104058261
1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxybutan-1-one
CID 104058328
1-(3,4-dihydro-2H-pyran-5-yl)pentan-1-one
CID 104058399
1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxybutan-1-one
CID 104249436
1-(3,4-dihydro-2H-pyran-5-yl)-3-propoxypropan-1-one
CID 105127406

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)propan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)propan-1-one (CID 102927352) is 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)propan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)propan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)propan-1-one is COCCOCCC(=O)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)propan-1-one?
The InChIKey is QAFPFBZTNYQQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-13-7-8-14-6-4-11(12)10-3-2-5-15-9-10/h9H,2-8H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)propan-1-one?
1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)propan-1-one has a molecular weight of 214.26 g/mol, XLogP of 1.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)propan-1-one is sourced from PubChem (CID 102927352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).