6-cyclohexyl-2,2-dimethyl-1,3-dioxin-4-one

C12H18O3 — CID 122228419

IUPAC6-cyclohexyl-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(C2CCCCC2)O1
InChIInChI=1S/C12H18O3/c1-12(2)14-10(8-11(13)15-12)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyVLLMEYHYZSPJCJ-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.76
Rot. Bonds1

About 6-cyclohexyl-2,2-dimethyl-1,3-dioxin-4-one

6-cyclohexyl-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 122228419) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 6-cyclohexyl-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-cyclohexyl-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID122228419
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name6-cyclohexyl-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(C2CCCCC2)O1
InChIInChI=1S/C12H18O3/c1-12(2)14-10(8-11(13)15-12)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyVLLMEYHYZSPJCJ-UHFFFAOYSA-N
XLogP2.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyclohexyl-4-methyl-2H-pyran-2-one
CID 19858323
6-Heptan-3-yl-4-methylpyran-2-one
CID 21520156
6-Cyclohexyl-3-methylpyran-2-one
CID 102261328
6-Cyclohexylpyran-2-one
CID 11182961
2-Cyclohexyl-4-methoxy-2,3-dihydropyran-6-one
CID 24829159
6-Heptyl-2,2-dimethyl-4h-1,3-dioxin-4-one
CID 85939848
(2S,3R)-2-cyclohexyl-4-methoxy-3-methyl-2,3-dihydropyran-6-one
CID 101955746
2,2,5-trimethyl-6-[[(1S,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexyl]methyl]-1,3-dioxin-4-one
CID 134959657
Spiro[3'-methylcyclohexane]-1,3-dioxa-6-methylcyclohex-5-en-4-one, (2S,3'R)-
CID 574413
1,5-Dioxaspiro[5.5]undec-3-en-2-one, 7-isopropyl-10-methyl-4-(4-penten-2-yl)-
CID 574532
4-Methoxy-1-oxaspiro[5.5]undec-3-en-2-one
CID 11310098
2,2-Dimethyl-6-pentyl-1,3-dioxin-4-one
CID 14546590

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-cyclohexyl-2,2-dimethyl-1,3-dioxin-4-one (CID 122228419) is 6-cyclohexyl-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-cyclohexyl-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-cyclohexyl-2,2-dimethyl-1,3-dioxin-4-one is CC1(C)OC(=O)C=C(C2CCCCC2)O1.
What is the InChIKey of 6-cyclohexyl-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is VLLMEYHYZSPJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-12(2)14-10(8-11(13)15-12)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 6-cyclohexyl-2,2-dimethyl-1,3-dioxin-4-one?
6-cyclohexyl-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 210.27 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 122228419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).