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

C11H16O3 — CID 115798170

IUPAC3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)C1=COCCC1
InChIInChI=1S/C11H16O3/c1-8-10(4-6-14-8)11(12)9-3-2-5-13-7-9/h7-8,10H,2-6H2,1H3
InChIKeyXYLHMKQPKVLWQB-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.67
Rot. Bonds2

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

3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-3-yl)methanone (PubChem CID 115798170) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-3-yl)methanone
PubChem CID115798170
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)C1=COCCC1
InChIInChI=1S/C11H16O3/c1-8-10(4-6-14-8)11(12)9-3-2-5-13-7-9/h7-8,10H,2-6H2,1H3
InChIKeyXYLHMKQPKVLWQB-UHFFFAOYSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Dimethyl-2-pentyl-2,3-dihydropyran-4-one
CID 13081492
2-Cyclohexyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 14090573
2-Butyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 14090578
(2S,3R)-2-butyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 14090579
(2S,3S)-3,5-dimethyl-2-pentyl-2,3-dihydropyran-4-one
CID 101240152
(3S)-2-[(1S)-1-methoxypropyl]-3,5-dimethyl-2,3-dihydropyran-4-one
CID 57692727
(2S,3S)-2-[(1S)-1-methoxypropyl]-3,5-dimethyl-2,3-dihydropyran-4-one
CID 89374234
(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
3-Methyl-1-(2-methylideneoxolan-3-yl)but-3-en-2-one
CID 144794351
(2S,3R)-2-cyclohexyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 14090574

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-3-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-3-yl)methanone (CID 115798170) is 3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-3-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-3-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-3-yl)methanone is CC1OCCC1C(=O)C1=COCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-3-yl)methanone?
The InChIKey is XYLHMKQPKVLWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-8-10(4-6-14-8)11(12)9-3-2-5-13-7-9/h7-8,10H,2-6H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-3-yl)methanone?
3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-3-yl)methanone has a molecular weight of 196.25 g/mol, XLogP of 1.67, 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-methyloxolan-3-yl)methanone is sourced from PubChem (CID 115798170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).