[(1R,6S)-4,6-dimethylcyclohex-3-en-1-yl] (5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoate

C25H46O3Si — CID 135009086

IUPAC[(1R,6S)-4,6-dimethylcyclohex-3-en-1-yl] (5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoate
SMILESC=C(C)CC(C)[C@H](CCCC(=O)O[C@@H]1CC=C(C)C[C@@H]1C)O[Si](CC)(CC)CC
InChIInChI=1S/C25H46O3Si/c1-9-29(10-2,11-3)28-24(21(7)17-19(4)5)13-12-14-25(26)27-23-16-15-20(6)18-22(23)8/h15,21-24H,4,9-14,16-18H2,1-3,5-8H3/t21?,22-,23+,24-/m0/s1
InChIKeyYRDUVCAIBQZLQL-NHYNNZIHSA-N
MW422.73 g/mol
LogP7.44
Rot. Bonds13

About [(1R,6S)-4,6-dimethylcyclohex-3-en-1-yl] (5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoate

[(1R,6S)-4,6-dimethylcyclohex-3-en-1-yl] (5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoate (PubChem CID 135009086) has the molecular formula C25H46O3Si and a molecular weight of 422.73 g/mol. Its IUPAC name is [(1R,6S)-4,6-dimethylcyclohex-3-en-1-yl] (5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoate.

Molecular Properties

Compound Name[(1R,6S)-4,6-dimethylcyclohex-3-en-1-yl] (5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoate
PubChem CID135009086
Molecular FormulaC25H46O3Si
Molecular Weight422.73 g/mol
Exact Mass422.32
IUPAC Name[(1R,6S)-4,6-dimethylcyclohex-3-en-1-yl] (5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoate
SMILESC=C(C)CC(C)[C@H](CCCC(=O)O[C@@H]1CC=C(C)C[C@@H]1C)O[Si](CC)(CC)CC
InChIInChI=1S/C25H46O3Si/c1-9-29(10-2,11-3)28-24(21(7)17-19(4)5)13-12-14-25(26)27-23-16-15-20(6)18-22(23)8/h15,21-24H,4,9-14,16-18H2,1-3,5-8H3/t21?,22-,23+,24-/m0/s1
InChIKeyYRDUVCAIBQZLQL-NHYNNZIHSA-N
XLogP7.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.73
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(1R,6S)-4,6-dimethylcyclohex-3-en-1-yl] (5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoate 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 [(1R,6S)-4,6-dimethylcyclohex-3-en-1-yl] (5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoate?
The IUPAC name of [(1R,6S)-4,6-dimethylcyclohex-3-en-1-yl] (5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoate (CID 135009086) is [(1R,6S)-4,6-dimethylcyclohex-3-en-1-yl] (5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoate.
What is the SMILES notation for [(1R,6S)-4,6-dimethylcyclohex-3-en-1-yl] (5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoate?
The canonical SMILES for [(1R,6S)-4,6-dimethylcyclohex-3-en-1-yl] (5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoate is C=C(C)CC(C)[C@H](CCCC(=O)O[C@@H]1CC=C(C)C[C@@H]1C)O[Si](CC)(CC)CC.
What is the InChIKey of [(1R,6S)-4,6-dimethylcyclohex-3-en-1-yl] (5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoate?
The InChIKey is YRDUVCAIBQZLQL-NHYNNZIHSA-N. The full InChI is InChI=1S/C25H46O3Si/c1-9-29(10-2,11-3)28-24(21(7)17-19(4)5)13-12-14-25(26)27-23-16-15-20(6)18-22(23)8/h15,21-24H,4,9-14,16-18H2,1-3,5-8H3/t21?,22-,23+,24-/m0/s1.
What are the key properties of [(1R,6S)-4,6-dimethylcyclohex-3-en-1-yl] (5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoate?
[(1R,6S)-4,6-dimethylcyclohex-3-en-1-yl] (5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoate has a molecular weight of 422.73 g/mol, XLogP of 7.44, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6S)-4,6-dimethylcyclohex-3-en-1-yl] (5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoate is sourced from PubChem (CID 135009086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).