cis-methyl (1R,3S)-3-trihexylsilylcyclopentane-1-carboxylate

C25H50O2Si — CID 102370573

IUPACcis-methyl (1R,3S)-3-trihexylsilylcyclopentane-1-carboxylate
SMILESCCCCCC[Si](CCCCCC)(CCCCCC)[C@H]1CC[C@@H](C(=O)OC)C1
InChIInChI=1S/C25H50O2Si/c1-5-8-11-14-19-28(20-15-12-9-6-2,21-16-13-10-7-3)24-18-17-23(22-24)25(26)27-4/h23-24H,5-22H2,1-4H3/t23-,24+/m1/s1
InChIKeyVNMRZQBLGHTYBG-RPWUZVMVSA-N
MW410.76 g/mol
LogP8.52
Rot. Bonds17

About cis-methyl (1R,3S)-3-trihexylsilylcyclopentane-1-carboxylate

cis-methyl (1R,3S)-3-trihexylsilylcyclopentane-1-carboxylate (PubChem CID 102370573) has the molecular formula C25H50O2Si and a molecular weight of 410.76 g/mol. Its IUPAC name is cis-methyl (1R,3S)-3-trihexylsilylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,3S)-3-trihexylsilylcyclopentane-1-carboxylate
PubChem CID102370573
Molecular FormulaC25H50O2Si
Molecular Weight410.76 g/mol
Exact Mass410.36
IUPAC Namecis-methyl (1R,3S)-3-trihexylsilylcyclopentane-1-carboxylate
SMILESCCCCCC[Si](CCCCCC)(CCCCCC)[C@H]1CC[C@@H](C(=O)OC)C1
InChIInChI=1S/C25H50O2Si/c1-5-8-11-14-19-28(20-15-12-9-6-2,21-16-13-10-7-3)24-18-17-23(22-24)25(26)27-4/h23-24H,5-22H2,1-4H3/t23-,24+/m1/s1
InChIKeyVNMRZQBLGHTYBG-RPWUZVMVSA-N
XLogP8.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.76
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cis-methyl (1R,3S)-3-trihexylsilylcyclopentane-1-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 cis-methyl (1R,3S)-3-trihexylsilylcyclopentane-1-carboxylate?
The IUPAC name of cis-methyl (1R,3S)-3-trihexylsilylcyclopentane-1-carboxylate (CID 102370573) is cis-methyl (1R,3S)-3-trihexylsilylcyclopentane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,3S)-3-trihexylsilylcyclopentane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,3S)-3-trihexylsilylcyclopentane-1-carboxylate is CCCCCC[Si](CCCCCC)(CCCCCC)[C@H]1CC[C@@H](C(=O)OC)C1.
What is the InChIKey of cis-methyl (1R,3S)-3-trihexylsilylcyclopentane-1-carboxylate?
The InChIKey is VNMRZQBLGHTYBG-RPWUZVMVSA-N. The full InChI is InChI=1S/C25H50O2Si/c1-5-8-11-14-19-28(20-15-12-9-6-2,21-16-13-10-7-3)24-18-17-23(22-24)25(26)27-4/h23-24H,5-22H2,1-4H3/t23-,24+/m1/s1.
What are the key properties of cis-methyl (1R,3S)-3-trihexylsilylcyclopentane-1-carboxylate?
cis-methyl (1R,3S)-3-trihexylsilylcyclopentane-1-carboxylate has a molecular weight of 410.76 g/mol, XLogP of 8.52, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,3S)-3-trihexylsilylcyclopentane-1-carboxylate is sourced from PubChem (CID 102370573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).