2,3-dihydrofuran-4-yl-(3-methyloxan-4-yl)methanone

C11H16O3 — CID 130579891

IUPAC2,3-dihydrofuran-4-yl-(3-methyloxan-4-yl)methanone
SMILESCC1COCCC1C(=O)C1=COCC1
InChIInChI=1S/C11H16O3/c1-8-6-13-5-3-10(8)11(12)9-2-4-14-7-9/h7-8,10H,2-6H2,1H3
InChIKeyCNOQUZVLKHKFCK-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.53
Rot. Bonds2

About 2,3-dihydrofuran-4-yl-(3-methyloxan-4-yl)methanone

2,3-dihydrofuran-4-yl-(3-methyloxan-4-yl)methanone (PubChem CID 130579891) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2,3-dihydrofuran-4-yl-(3-methyloxan-4-yl)methanone.

Molecular Properties

Compound Name2,3-dihydrofuran-4-yl-(3-methyloxan-4-yl)methanone
PubChem CID130579891
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2,3-dihydrofuran-4-yl-(3-methyloxan-4-yl)methanone
SMILESCC1COCCC1C(=O)C1=COCC1
InChIInChI=1S/C11H16O3/c1-8-6-13-5-3-10(8)11(12)9-2-4-14-7-9/h7-8,10H,2-6H2,1H3
InChIKeyCNOQUZVLKHKFCK-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-pyran-5-yl(oxan-4-yl)methanone
CID 104058342
1-(3,4-dihydro-2H-pyran-5-yl)-2-(oxolan-3-yl)ethanone
CID 104058469
1-(3,4-dihydro-2H-pyran-5-yl)-2,3-dimethylbutan-1-one
CID 115798019
3-Methyl-1-(3-methyloxan-4-yl)but-3-en-1-one
CID 130491993
2-Methyl-1-(3-methyloxan-4-yl)prop-2-en-1-one
CID 130491994
2,3-Dihydrofuran-4-yl-(4-methylcyclohexyl)methanone
CID 130579220
1-(2,3-Dihydrofuran-4-yl)-2-methylbutan-1-one
CID 130579240
2,3-Dihydrofuran-4-yl(oxan-4-yl)methanone
CID 130579259
2,3-Dihydrofuran-4-yl(oxan-3-yl)methanone
CID 130579260
2,3-Dihydrofuran-4-yl-(4-ethylcyclohexyl)methanone
CID 130579264
2,3-Dihydrofuran-4-yl-(2-methylcyclopropyl)methanone
CID 130579271
1-(2,3-Dihydrofuran-4-yl)-2,2-dimethylbutan-1-one
CID 130579778

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-4-yl-(3-methyloxan-4-yl)methanone?
The IUPAC name of 2,3-dihydrofuran-4-yl-(3-methyloxan-4-yl)methanone (CID 130579891) is 2,3-dihydrofuran-4-yl-(3-methyloxan-4-yl)methanone.
What is the SMILES notation for 2,3-dihydrofuran-4-yl-(3-methyloxan-4-yl)methanone?
The canonical SMILES for 2,3-dihydrofuran-4-yl-(3-methyloxan-4-yl)methanone is CC1COCCC1C(=O)C1=COCC1.
What is the InChIKey of 2,3-dihydrofuran-4-yl-(3-methyloxan-4-yl)methanone?
The InChIKey is CNOQUZVLKHKFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-8-6-13-5-3-10(8)11(12)9-2-4-14-7-9/h7-8,10H,2-6H2,1H3.
What are the key properties of 2,3-dihydrofuran-4-yl-(3-methyloxan-4-yl)methanone?
2,3-dihydrofuran-4-yl-(3-methyloxan-4-yl)methanone has a molecular weight of 196.25 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-4-yl-(3-methyloxan-4-yl)methanone is sourced from PubChem (CID 130579891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).