1,4-dioxan-2-yl(oxan-4-yl)methanone

C10H16O4 — CID 65350895

IUPAC1,4-dioxan-2-yl(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)C1COCCO1
InChIInChI=1S/C10H16O4/c11-10(8-1-3-12-4-2-8)9-7-13-5-6-14-9/h8-9H,1-7H2
InChIKeyMDVDJWLJMCOPQO-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.40
Rot. Bonds2

About 1,4-dioxan-2-yl(oxan-4-yl)methanone

1,4-dioxan-2-yl(oxan-4-yl)methanone (PubChem CID 65350895) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 1,4-dioxan-2-yl(oxan-4-yl)methanone.

Molecular Properties

Compound Name1,4-dioxan-2-yl(oxan-4-yl)methanone
PubChem CID65350895
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name1,4-dioxan-2-yl(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)C1COCCO1
InChIInChI=1S/C10H16O4/c11-10(8-1-3-12-4-2-8)9-7-13-5-6-14-9/h8-9H,1-7H2
InChIKeyMDVDJWLJMCOPQO-UHFFFAOYSA-N
XLogP0.40
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl(oxan-4-yl)methanone?
The IUPAC name of 1,4-dioxan-2-yl(oxan-4-yl)methanone (CID 65350895) is 1,4-dioxan-2-yl(oxan-4-yl)methanone.
What is the SMILES notation for 1,4-dioxan-2-yl(oxan-4-yl)methanone?
The canonical SMILES for 1,4-dioxan-2-yl(oxan-4-yl)methanone is O=C(C1CCOCC1)C1COCCO1.
What is the InChIKey of 1,4-dioxan-2-yl(oxan-4-yl)methanone?
The InChIKey is MDVDJWLJMCOPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c11-10(8-1-3-12-4-2-8)9-7-13-5-6-14-9/h8-9H,1-7H2.
What are the key properties of 1,4-dioxan-2-yl(oxan-4-yl)methanone?
1,4-dioxan-2-yl(oxan-4-yl)methanone has a molecular weight of 200.23 g/mol, XLogP of 0.40, 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(oxan-4-yl)methanone is sourced from PubChem (CID 65350895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).