cyclohexyl-[(2S)-1,4-dioxan-2-yl]methanone

C11H18O3 — CID 162416752

IUPACcyclohexyl-[(2S)-1,4-dioxan-2-yl]methanone
SMILESO=C(C1CCCCC1)[C@@H]1COCCO1
InChIInChI=1S/C11H18O3/c12-11(9-4-2-1-3-5-9)10-8-13-6-7-14-10/h9-10H,1-8H2/t10-/m0/s1
InChIKeyWAAXIYWBCKAYJJ-JTQLQIEISA-N
MW198.26 g/mol
LogP1.55
Rot. Bonds2

About cyclohexyl-[(2S)-1,4-dioxan-2-yl]methanone

cyclohexyl-[(2S)-1,4-dioxan-2-yl]methanone (PubChem CID 162416752) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is cyclohexyl-[(2S)-1,4-dioxan-2-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(2S)-1,4-dioxan-2-yl]methanone
PubChem CID162416752
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namecyclohexyl-[(2S)-1,4-dioxan-2-yl]methanone
SMILESO=C(C1CCCCC1)[C@@H]1COCCO1
InChIInChI=1S/C11H18O3/c12-11(9-4-2-1-3-5-9)10-8-13-6-7-14-10/h9-10H,1-8H2/t10-/m0/s1
InChIKeyWAAXIYWBCKAYJJ-JTQLQIEISA-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

2-(Oxan-2-yl)cyclohexan-1-one
CID 10655030
1-Oxaspiro[5.5]undecan-7-one
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1-Cyclohexyl-3-ethoxy-2-butanone
CID 552107
3-Cyclohexyl-6-methyl-1,4-dioxane-2,5-dione
CID 57809484
5-Cyclohexyloxolan-3-one
CID 10654673
1-[(2S,3R)-3-cyclohexyloxiran-2-yl]ethanone
CID 11412599
1-Cyclohexyl-2-(oxan-2-yl)ethanone
CID 101809503
1-(1,4-Dioxan-2-yl)-2-ethylhexan-1-one
CID 22168527
Cyclohexyl(1,4-dioxan-2-yl)methanone
CID 65350629
1-Cyclohexyl-2-hydroxy-2-(oxan-2-yl)ethanone
CID 68641367
(4aS)-4a-methyl-3,6,7,8,9,9a-hexahydro-2H-cyclohepta[b][1,4]dioxin-5-one
CID 70555881
1-Cyclohexyl-2-propan-2-yloxyethanone
CID 79566729

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(2S)-1,4-dioxan-2-yl]methanone?
The IUPAC name of cyclohexyl-[(2S)-1,4-dioxan-2-yl]methanone (CID 162416752) is cyclohexyl-[(2S)-1,4-dioxan-2-yl]methanone.
What is the SMILES notation for cyclohexyl-[(2S)-1,4-dioxan-2-yl]methanone?
The canonical SMILES for cyclohexyl-[(2S)-1,4-dioxan-2-yl]methanone is O=C(C1CCCCC1)[C@@H]1COCCO1.
What is the InChIKey of cyclohexyl-[(2S)-1,4-dioxan-2-yl]methanone?
The InChIKey is WAAXIYWBCKAYJJ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18O3/c12-11(9-4-2-1-3-5-9)10-8-13-6-7-14-10/h9-10H,1-8H2/t10-/m0/s1.
What are the key properties of cyclohexyl-[(2S)-1,4-dioxan-2-yl]methanone?
cyclohexyl-[(2S)-1,4-dioxan-2-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 cyclohexyl-[(2S)-1,4-dioxan-2-yl]methanone is sourced from PubChem (CID 162416752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).