oxan-2-yl(oxan-3-yl)methanone

C11H18O3 — CID 107138647

IUPACoxan-2-yl(oxan-3-yl)methanone
SMILESO=C(C1CCCOC1)C1CCCCO1
InChIInChI=1S/C11H18O3/c12-11(9-4-3-6-13-8-9)10-5-1-2-7-14-10/h9-10H,1-8H2
InChIKeyZWZMCUPWHLOKFW-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.55
Rot. Bonds2

About oxan-2-yl(oxan-3-yl)methanone

oxan-2-yl(oxan-3-yl)methanone (PubChem CID 107138647) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is oxan-2-yl(oxan-3-yl)methanone.

Molecular Properties

Compound Nameoxan-2-yl(oxan-3-yl)methanone
PubChem CID107138647
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Nameoxan-2-yl(oxan-3-yl)methanone
SMILESO=C(C1CCCOC1)C1CCCCO1
InChIInChI=1S/C11H18O3/c12-11(9-4-3-6-13-8-9)10-5-1-2-7-14-10/h9-10H,1-8H2
InChIKeyZWZMCUPWHLOKFW-UHFFFAOYSA-N
XLogP1.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl(oxolan-2-yl)methanone
CID 65331065
cycloheptyl(1,4-dioxan-2-yl)methanone
CID 115875404
cycloheptyl(oxolan-3-yl)methanone
CID 65399453
(3R)-oxane-3-carboxylic acid
CID 42554318
oxan-3-yl(thian-2-yl)methanone
CID 80595628
[(3S)-oxan-3-yl]-[(2R)-piperidin-2-yl]methanone
CID 124675210
oxane-3-carbonyl oxane-3-carboperoxoate
CID 23083566
oxane-3-carboxamide
CID 22714381
1,4-diazabicyclo[2.2.2]octan-2-yl(oxan-3-yl)methanone
CID 107135954
(2-ethylcyclohexyl)-(oxan-3-yl)methanone
CID 65331736
oxepane-3-carbohydrazide
CID 84650776
(2-aminocyclopentyl)-(oxan-3-yl)methanone
CID 107138398

Frequently Asked Questions

What is the IUPAC name of oxan-2-yl(oxan-3-yl)methanone?
The IUPAC name of oxan-2-yl(oxan-3-yl)methanone (CID 107138647) is oxan-2-yl(oxan-3-yl)methanone.
What is the SMILES notation for oxan-2-yl(oxan-3-yl)methanone?
The canonical SMILES for oxan-2-yl(oxan-3-yl)methanone is O=C(C1CCCOC1)C1CCCCO1.
What is the InChIKey of oxan-2-yl(oxan-3-yl)methanone?
The InChIKey is ZWZMCUPWHLOKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c12-11(9-4-3-6-13-8-9)10-5-1-2-7-14-10/h9-10H,1-8H2.
What are the key properties of oxan-2-yl(oxan-3-yl)methanone?
oxan-2-yl(oxan-3-yl)methanone has a molecular weight of 198.26 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl(oxan-3-yl)methanone is sourced from PubChem (CID 107138647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).