3,4-dihydro-2H-pyran-5-yl-(2,4,5-trimethyloxolan-3-yl)methanone

C13H20O3 — CID 115798061

IUPAC3,4-dihydro-2H-pyran-5-yl-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC1OC(C)C(C(=O)C2=COCCC2)C1C
InChIInChI=1S/C13H20O3/c1-8-9(2)16-10(3)12(8)13(14)11-5-4-6-15-7-11/h7-10,12H,4-6H2,1-3H3
InChIKeyYDGOVJKBCGNSKA-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.31
Rot. Bonds2

About 3,4-dihydro-2H-pyran-5-yl-(2,4,5-trimethyloxolan-3-yl)methanone

3,4-dihydro-2H-pyran-5-yl-(2,4,5-trimethyloxolan-3-yl)methanone (PubChem CID 115798061) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl-(2,4,5-trimethyloxolan-3-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl-(2,4,5-trimethyloxolan-3-yl)methanone
PubChem CID115798061
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name3,4-dihydro-2H-pyran-5-yl-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC1OC(C)C(C(=O)C2=COCCC2)C1C
InChIInChI=1S/C13H20O3/c1-8-9(2)16-10(3)12(8)13(14)11-5-4-6-15-7-11/h7-10,12H,4-6H2,1-3H3
InChIKeyYDGOVJKBCGNSKA-UHFFFAOYSA-N
XLogP2.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,4-dihydro-2H-pyran-5-yl-(2,4,5-trimethyloxolan-3-yl)methanone 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

3,5-Dimethyl-2-pentyl-2,3-dihydropyran-4-one
CID 13081492
(2S,3S)-3,5-dimethyl-2-pentyl-2,3-dihydropyran-4-one
CID 101240152
(4S)-2,4-dimethyl-5-[(2S)-oxolan-2-yl]pent-1-en-3-one
CID 122545541
(4S)-2,4-dimethyl-5-(oxolan-2-yl)pent-1-en-3-one
CID 122545542
(4S)-2,4-dimethyl-5-[(2R)-oxolan-2-yl]pent-1-en-3-one
CID 122545548
2-Methyl-1-[4-(2-methylprop-2-enoyl)oxolan-3-yl]prop-2-en-1-one
CID 129205477
3-Methyl-1-(2-methylideneoxolan-3-yl)but-3-en-2-one
CID 144794351
2-(1-Ethoxypropan-2-yl)-3,5-dimethyl-2,3-dihydropyran-4-one
CID 21718470
2-(1-Methoxypropan-2-yl)-3,5-dimethyl-2,3-dihydropyran-4-one
CID 21719300
(2S,3R)-3,5-dimethyl-2-propan-2-yl-2,3-dihydropyran-4-one
CID 45096408
Cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone
CID 65154539
3-Methylidene-1-(oxolan-3-yl)pentan-1-one
CID 66043837

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(2,4,5-trimethyloxolan-3-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(2,4,5-trimethyloxolan-3-yl)methanone (CID 115798061) is 3,4-dihydro-2H-pyran-5-yl-(2,4,5-trimethyloxolan-3-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl-(2,4,5-trimethyloxolan-3-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl-(2,4,5-trimethyloxolan-3-yl)methanone is CC1OC(C)C(C(=O)C2=COCCC2)C1C.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl-(2,4,5-trimethyloxolan-3-yl)methanone?
The InChIKey is YDGOVJKBCGNSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-8-9(2)16-10(3)12(8)13(14)11-5-4-6-15-7-11/h7-10,12H,4-6H2,1-3H3.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl-(2,4,5-trimethyloxolan-3-yl)methanone?
3,4-dihydro-2H-pyran-5-yl-(2,4,5-trimethyloxolan-3-yl)methanone has a molecular weight of 224.30 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-5-yl-(2,4,5-trimethyloxolan-3-yl)methanone is sourced from PubChem (CID 115798061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).