cyclohexyl-[(4R,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanone

C18H30O3 — CID 102107681

IUPACcyclohexyl-[(4R,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanone
SMILESCC1(C)O[C@@H](C(=O)C2CCCCC2)[C@H](C2CCCCC2)O1
InChIInChI=1S/C18H30O3/c1-18(2)20-16(14-11-7-4-8-12-14)17(21-18)15(19)13-9-5-3-6-10-13/h13-14,16-17H,3-12H2,1-2H3/t16-,17-/m0/s1
InChIKeyZHOGBCIVIZBTEE-IRXDYDNUSA-N
MW294.43 g/mol
LogP4.24
Rot. Bonds3

About cyclohexyl-[(4R,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanone

cyclohexyl-[(4R,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanone (PubChem CID 102107681) has the molecular formula C18H30O3 and a molecular weight of 294.43 g/mol. Its IUPAC name is cyclohexyl-[(4R,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(4R,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanone
PubChem CID102107681
Molecular FormulaC18H30O3
Molecular Weight294.43 g/mol
Exact Mass294.22
IUPAC Namecyclohexyl-[(4R,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanone
SMILESCC1(C)O[C@@H](C(=O)C2CCCCC2)[C@H](C2CCCCC2)O1
InChIInChI=1S/C18H30O3/c1-18(2)20-16(14-11-7-4-8-12-14)17(21-18)15(19)13-9-5-3-6-10-13/h13-14,16-17H,3-12H2,1-2H3/t16-,17-/m0/s1
InChIKeyZHOGBCIVIZBTEE-IRXDYDNUSA-N
XLogP4.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclohexyl-[(4R,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
1-[(4R,5R)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 134856789
8-(2-Propyl-1,3-dioxolan-2-yl)tetradecan-7-one
CID 134903231
6-(2-Propyl-1,3-dioxolan-2-yl)dodecan-5-one
CID 134903309
6-(2-Methyl-1,3-dioxolan-2-yl)dodecan-5-one
CID 134978685
(1,2-Dicyclohexyl-2-oxoethyl) ethyl carbonate
CID 10661638
[(4R,5R)-5-(cyclohexanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclohexylmethanone
CID 12990202
3-[4-(2,2-Dimethyl-1,3-dioxolan-4-yl)butyl]cyclohexan-1-one
CID 15091677
8-[2-(4-Oxocyclohexyl)ethyl]-1,4-dioxaspiro[4,5]decane
CID 10236276

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(4R,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanone?
The IUPAC name of cyclohexyl-[(4R,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanone (CID 102107681) is cyclohexyl-[(4R,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanone.
What is the SMILES notation for cyclohexyl-[(4R,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanone?
The canonical SMILES for cyclohexyl-[(4R,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanone is CC1(C)O[C@@H](C(=O)C2CCCCC2)[C@H](C2CCCCC2)O1.
What is the InChIKey of cyclohexyl-[(4R,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanone?
The InChIKey is ZHOGBCIVIZBTEE-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H30O3/c1-18(2)20-16(14-11-7-4-8-12-14)17(21-18)15(19)13-9-5-3-6-10-13/h13-14,16-17H,3-12H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of cyclohexyl-[(4R,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanone?
cyclohexyl-[(4R,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanone has a molecular weight of 294.43 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(4R,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanone is sourced from PubChem (CID 102107681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).