cyclohexyl-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone

C12H20O3 — CID 10443161

IUPACcyclohexyl-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone
SMILESCC1(C)OC[C@H](C(=O)C2CCCCC2)O1
InChIInChI=1S/C12H20O3/c1-12(2)14-8-10(15-12)11(13)9-6-4-3-5-7-9/h9-10H,3-8H2,1-2H3/t10-/m1/s1
InChIKeyYMBUYWRDVOHVCS-SNVBAGLBSA-N
MW212.29 g/mol
LogP2.29
Rot. Bonds2

About cyclohexyl-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone

cyclohexyl-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone (PubChem CID 10443161) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is cyclohexyl-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone
PubChem CID10443161
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Namecyclohexyl-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone
SMILESCC1(C)OC[C@H](C(=O)C2CCCCC2)O1
InChIInChI=1S/C12H20O3/c1-12(2)14-8-10(15-12)11(13)9-6-4-3-5-7-9/h9-10H,3-8H2,1-2H3/t10-/m1/s1
InChIKeyYMBUYWRDVOHVCS-SNVBAGLBSA-N
XLogP2.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-{1,4-Dioxaspiro[4.5]decan-6-yl}ethanone
CID 10103861
8-(2-Methyl-1,3-dioxolan-2-yl)-7-tetradecanone
CID 13600696
(2S,5S)-2-tert-butyl-5-(cyclohexylmethyl)-1,3-dioxolan-4-one
CID 101336634
6-Methyl-1,4-dioxaspiro[4.5]decan-7-one
CID 10012321
5-Cyclohexyloxolan-3-one
CID 10654673
1-[(4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 11673650
2-(2-Methyl-1,3-dioxolan-2-yl)cyclohexanone
CID 13112445
1-[(4S,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]pentan-1-one
CID 49780958
cyclohexyl-[(4R,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanone
CID 102107681
1-[(4S,5R)-5-butyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 121224825
1-[(4R,5R)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 134856789
1-[(9R)-9-methyl-1,4-dioxaspiro[4.5]decan-6-yl]ethanone
CID 134890133

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone?
The IUPAC name of cyclohexyl-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone (CID 10443161) is cyclohexyl-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone.
What is the SMILES notation for cyclohexyl-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone?
The canonical SMILES for cyclohexyl-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone is CC1(C)OC[C@H](C(=O)C2CCCCC2)O1.
What is the InChIKey of cyclohexyl-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone?
The InChIKey is YMBUYWRDVOHVCS-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20O3/c1-12(2)14-8-10(15-12)11(13)9-6-4-3-5-7-9/h9-10H,3-8H2,1-2H3/t10-/m1/s1.
What are the key properties of cyclohexyl-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone?
cyclohexyl-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone has a molecular weight of 212.29 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone is sourced from PubChem (CID 10443161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).