1,4-dioxan-2-yl(oxolan-3-yl)methanone

C9H14O4 — CID 65350572

IUPAC1,4-dioxan-2-yl(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)C1COCCO1
InChIInChI=1S/C9H14O4/c10-9(7-1-2-11-5-7)8-6-12-3-4-13-8/h7-8H,1-6H2
InChIKeyAZWQVMQDJVUBQJ-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.01
Rot. Bonds2

About 1,4-dioxan-2-yl(oxolan-3-yl)methanone

1,4-dioxan-2-yl(oxolan-3-yl)methanone (PubChem CID 65350572) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1,4-dioxan-2-yl(oxolan-3-yl)methanone.

Molecular Properties

Compound Name1,4-dioxan-2-yl(oxolan-3-yl)methanone
PubChem CID65350572
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name1,4-dioxan-2-yl(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)C1COCCO1
InChIInChI=1S/C9H14O4/c10-9(7-1-2-11-5-7)8-6-12-3-4-13-8/h7-8H,1-6H2
InChIKeyAZWQVMQDJVUBQJ-UHFFFAOYSA-N
XLogP0.01
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S,7R,8S)-8-(3-methoxyhexan-3-yloxy)-2,2,7-trimethyl-1,3,10-trioxaspiro[4.5]decan-6-one
CID 141902163
(8S,11S,12R)-11-(2-methoxypropan-2-yloxy)-12-methyl-7,9,15-trioxadispiro[5.1.58.26]pentadecan-13-one
CID 141902172
(5S,7R,8S)-2-ethyl-8-(2-hydroxybutan-2-yloxy)-2,7-dimethyl-1,3,10-trioxaspiro[4.5]decan-6-one
CID 166953541
2-Ethoxy-1-(oxolan-3-yl)propan-1-one
CID 64540893
1,4-Dioxan-2-yl(oxan-4-yl)methanone
CID 65350895
2-Methoxy-1-(oxolan-3-yl)propan-1-one
CID 79616879
2-(Oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanone
CID 104751703
2-(2,6-Dimethyloxan-4-yl)oxy-1-(oxolan-3-yl)ethanone
CID 104752218
2-Ethoxy-1-(5-methyloxolan-3-yl)ethanone
CID 115782895
1-(5-Methyloxolan-3-yl)-2-propoxyethanone
CID 115783118
2-Methoxy-1-(5-methyloxolan-3-yl)ethanone
CID 115783301
1-(5-Methyloxolan-3-yl)-2-propan-2-yloxyethanone
CID 115785081

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl(oxolan-3-yl)methanone?
The IUPAC name of 1,4-dioxan-2-yl(oxolan-3-yl)methanone (CID 65350572) is 1,4-dioxan-2-yl(oxolan-3-yl)methanone.
What is the SMILES notation for 1,4-dioxan-2-yl(oxolan-3-yl)methanone?
The canonical SMILES for 1,4-dioxan-2-yl(oxolan-3-yl)methanone is O=C(C1CCOC1)C1COCCO1.
What is the InChIKey of 1,4-dioxan-2-yl(oxolan-3-yl)methanone?
The InChIKey is AZWQVMQDJVUBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c10-9(7-1-2-11-5-7)8-6-12-3-4-13-8/h7-8H,1-6H2.
What are the key properties of 1,4-dioxan-2-yl(oxolan-3-yl)methanone?
1,4-dioxan-2-yl(oxolan-3-yl)methanone has a molecular weight of 186.21 g/mol, XLogP of 0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl(oxolan-3-yl)methanone is sourced from PubChem (CID 65350572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).