cyclohexyl (1S,2R,6R,8R,9S,10R)-9-(cyclohexylcarbamoyl)-4,4-dimethyl-11-oxo-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecane-10-carboxylate

C24H35NO8 — CID 102266119

IUPACcyclohexyl (1S,2R,6R,8R,9S,10R)-9-(cyclohexylcarbamoyl)-4,4-dimethyl-11-oxo-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecane-10-carboxylate
SMILESCC1(C)O[C@H]2O[C@H]3[C@H](OC(=O)[C@@H](C(=O)OC4CCCCC4)[C@@H]3C(=O)NC3CCCCC3)[C@H]2O1
InChIInChI=1S/C24H35NO8/c1-24(2)32-19-18-17(31-23(19)33-24)15(20(26)25-13-9-5-3-6-10-13)16(22(28)30-18)21(27)29-14-11-7-4-8-12-14/h13-19,23H,3-12H2,1-2H3,(H,25,26)/t15-,16+,17+,18-,19+,23+/m0/s1
InChIKeyFDAZNMPIWHKPBU-XSCAQNHYSA-N
MW465.54 g/mol
LogP2.35
Rot. Bonds4

About cyclohexyl (1S,2R,6R,8R,9S,10R)-9-(cyclohexylcarbamoyl)-4,4-dimethyl-11-oxo-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecane-10-carboxylate

cyclohexyl (1S,2R,6R,8R,9S,10R)-9-(cyclohexylcarbamoyl)-4,4-dimethyl-11-oxo-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecane-10-carboxylate (PubChem CID 102266119) has the molecular formula C24H35NO8 and a molecular weight of 465.54 g/mol. Its IUPAC name is cyclohexyl (1S,2R,6R,8R,9S,10R)-9-(cyclohexylcarbamoyl)-4,4-dimethyl-11-oxo-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecane-10-carboxylate.

Molecular Properties

Compound Namecyclohexyl (1S,2R,6R,8R,9S,10R)-9-(cyclohexylcarbamoyl)-4,4-dimethyl-11-oxo-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecane-10-carboxylate
PubChem CID102266119
Molecular FormulaC24H35NO8
Molecular Weight465.54 g/mol
Exact Mass465.24
IUPAC Namecyclohexyl (1S,2R,6R,8R,9S,10R)-9-(cyclohexylcarbamoyl)-4,4-dimethyl-11-oxo-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecane-10-carboxylate
SMILESCC1(C)O[C@H]2O[C@H]3[C@H](OC(=O)[C@@H](C(=O)OC4CCCCC4)[C@@H]3C(=O)NC3CCCCC3)[C@H]2O1
InChIInChI=1S/C24H35NO8/c1-24(2)32-19-18-17(31-23(19)33-24)15(20(26)25-13-9-5-3-6-10-13)16(22(28)30-18)21(27)29-14-11-7-4-8-12-14/h13-19,23H,3-12H2,1-2H3,(H,25,26)/t15-,16+,17+,18-,19+,23+/m0/s1
InChIKeyFDAZNMPIWHKPBU-XSCAQNHYSA-N
XLogP2.35
TPSA109.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze cyclohexyl (1S,2R,6R,8R,9S,10R)-9-(cyclohexylcarbamoyl)-4,4-dimethyl-11-oxo-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecane-10-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexyl (1S,2R,6R,8R,9S,10R)-9-(cyclohexylcarbamoyl)-4,4-dimethyl-11-oxo-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecane-10-carboxylate?
The IUPAC name of cyclohexyl (1S,2R,6R,8R,9S,10R)-9-(cyclohexylcarbamoyl)-4,4-dimethyl-11-oxo-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecane-10-carboxylate (CID 102266119) is cyclohexyl (1S,2R,6R,8R,9S,10R)-9-(cyclohexylcarbamoyl)-4,4-dimethyl-11-oxo-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecane-10-carboxylate.
What is the SMILES notation for cyclohexyl (1S,2R,6R,8R,9S,10R)-9-(cyclohexylcarbamoyl)-4,4-dimethyl-11-oxo-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecane-10-carboxylate?
The canonical SMILES for cyclohexyl (1S,2R,6R,8R,9S,10R)-9-(cyclohexylcarbamoyl)-4,4-dimethyl-11-oxo-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecane-10-carboxylate is CC1(C)O[C@H]2O[C@H]3[C@H](OC(=O)[C@@H](C(=O)OC4CCCCC4)[C@@H]3C(=O)NC3CCCCC3)[C@H]2O1.
What is the InChIKey of cyclohexyl (1S,2R,6R,8R,9S,10R)-9-(cyclohexylcarbamoyl)-4,4-dimethyl-11-oxo-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecane-10-carboxylate?
The InChIKey is FDAZNMPIWHKPBU-XSCAQNHYSA-N. The full InChI is InChI=1S/C24H35NO8/c1-24(2)32-19-18-17(31-23(19)33-24)15(20(26)25-13-9-5-3-6-10-13)16(22(28)30-18)21(27)29-14-11-7-4-8-12-14/h13-19,23H,3-12H2,1-2H3,(H,25,26)/t15-,16+,17+,18-,19+,23+/m0/s1.
What are the key properties of cyclohexyl (1S,2R,6R,8R,9S,10R)-9-(cyclohexylcarbamoyl)-4,4-dimethyl-11-oxo-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecane-10-carboxylate?
cyclohexyl (1S,2R,6R,8R,9S,10R)-9-(cyclohexylcarbamoyl)-4,4-dimethyl-11-oxo-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecane-10-carboxylate has a molecular weight of 465.54 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (1S,2R,6R,8R,9S,10R)-9-(cyclohexylcarbamoyl)-4,4-dimethyl-11-oxo-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecane-10-carboxylate is sourced from PubChem (CID 102266119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).