methyl 7-[(1S,2R,3R)-5-oxo-2-tributylstannyl-3-triethylsilyloxycyclopentyl]heptanoate

C31H62O4SiSn — CID 14297154

IUPACmethyl 7-[(1S,2R,3R)-5-oxo-2-tributylstannyl-3-triethylsilyloxycyclopentyl]heptanoate
SMILESCCCC[Sn](CCCC)(CCCC)[C@H]1[C@H](O[Si](CC)(CC)CC)CC(=O)[C@@H]1CCCCCCC(=O)OC
InChIInChI=1S/C19H35O4Si.3C4H9.Sn/c1-5-24(6-2,7-3)23-17-14-16(18(20)15-17)12-10-8-9-11-13-19(21)22-4;3*1-3-4-2;/h14,16-17H,5-13,15H2,1-4H3;3*1,3-4H2,2H3;/t16-,17+;;;;/m1..../s1
InChIKeyBSPVIZKXDWJYGM-PNNYBRIFSA-N
MW645.63 g/mol
LogP9.70
Rot. Bonds22

About methyl 7-[(1S,2R,3R)-5-oxo-2-tributylstannyl-3-triethylsilyloxycyclopentyl]heptanoate

methyl 7-[(1S,2R,3R)-5-oxo-2-tributylstannyl-3-triethylsilyloxycyclopentyl]heptanoate (PubChem CID 14297154) has the molecular formula C31H62O4SiSn and a molecular weight of 645.63 g/mol. Its IUPAC name is methyl 7-[(1S,2R,3R)-5-oxo-2-tributylstannyl-3-triethylsilyloxycyclopentyl]heptanoate.

Molecular Properties

Compound Namemethyl 7-[(1S,2R,3R)-5-oxo-2-tributylstannyl-3-triethylsilyloxycyclopentyl]heptanoate
PubChem CID14297154
Molecular FormulaC31H62O4SiSn
Molecular Weight645.63 g/mol
Exact Mass646.34
IUPAC Namemethyl 7-[(1S,2R,3R)-5-oxo-2-tributylstannyl-3-triethylsilyloxycyclopentyl]heptanoate
SMILESCCCC[Sn](CCCC)(CCCC)[C@H]1[C@H](O[Si](CC)(CC)CC)CC(=O)[C@@H]1CCCCCCC(=O)OC
InChIInChI=1S/C19H35O4Si.3C4H9.Sn/c1-5-24(6-2,7-3)23-17-14-16(18(20)15-17)12-10-8-9-11-13-19(21)22-4;3*1-3-4-2;/h14,16-17H,5-13,15H2,1-4H3;3*1,3-4H2,2H3;/t16-,17+;;;;/m1..../s1
InChIKeyBSPVIZKXDWJYGM-PNNYBRIFSA-N
XLogP9.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.63
LogP ≤ 59.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 7-[(1S,2R,3R)-5-oxo-2-tributylstannyl-3-triethylsilyloxycyclopentyl]heptanoate 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

methyl 7-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-(3-oxooctyl)cyclopentyl]-5-fluoro-6-oxoheptanoate
CID 15224617
methyl (5S)-7-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-(3-oxooctyl)cyclopentyl]-5-fluoro-6-oxoheptanoate
CID 88445821
[(3R,4S,5R)-2,4-dimethyl-7-oxo-3-triethylsilyloxynonan-5-yl] acetate
CID 134969676
Ethyl 2-acetyl-9-[tert-butyl(dimethyl)silyl]oxynonanoate
CID 135070686
4-[[Tert-butyl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one
CID 11348848
Methyl 10-methyl-3-(trimethylsilyloxy)dodecanoate
CID 91741657
Methyl 12-methyl-3-(trimethylsilyloxy)tetradecanoate
CID 91742821
Methyl 14-methyl-3-(trimethylsilyloxy)hexadecanoate
CID 91743754
Diethyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]propyl]propanedioate
CID 19904701
Methyl 7-[2-[3-[tert-butyl(dimethyl)silyl]oxyoctyl]-5-oxocyclopentyl]heptanoate
CID 53941881
Methyl 7-[4-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclopentyl]heptanoate
CID 56991414
Methyl 9-[tert-butyl(dimethyl)silyl]oxy-2-(oxolan-2-yl)nonanoate
CID 70021597

Frequently Asked Questions

What is the IUPAC name of methyl 7-[(1S,2R,3R)-5-oxo-2-tributylstannyl-3-triethylsilyloxycyclopentyl]heptanoate?
The IUPAC name of methyl 7-[(1S,2R,3R)-5-oxo-2-tributylstannyl-3-triethylsilyloxycyclopentyl]heptanoate (CID 14297154) is methyl 7-[(1S,2R,3R)-5-oxo-2-tributylstannyl-3-triethylsilyloxycyclopentyl]heptanoate.
What is the SMILES notation for methyl 7-[(1S,2R,3R)-5-oxo-2-tributylstannyl-3-triethylsilyloxycyclopentyl]heptanoate?
The canonical SMILES for methyl 7-[(1S,2R,3R)-5-oxo-2-tributylstannyl-3-triethylsilyloxycyclopentyl]heptanoate is CCCC[Sn](CCCC)(CCCC)[C@H]1[C@H](O[Si](CC)(CC)CC)CC(=O)[C@@H]1CCCCCCC(=O)OC.
What is the InChIKey of methyl 7-[(1S,2R,3R)-5-oxo-2-tributylstannyl-3-triethylsilyloxycyclopentyl]heptanoate?
The InChIKey is BSPVIZKXDWJYGM-PNNYBRIFSA-N. The full InChI is InChI=1S/C19H35O4Si.3C4H9.Sn/c1-5-24(6-2,7-3)23-17-14-16(18(20)15-17)12-10-8-9-11-13-19(21)22-4;3*1-3-4-2;/h14,16-17H,5-13,15H2,1-4H3;3*1,3-4H2,2H3;/t16-,17+;;;;/m1..../s1.
What are the key properties of methyl 7-[(1S,2R,3R)-5-oxo-2-tributylstannyl-3-triethylsilyloxycyclopentyl]heptanoate?
methyl 7-[(1S,2R,3R)-5-oxo-2-tributylstannyl-3-triethylsilyloxycyclopentyl]heptanoate has a molecular weight of 645.63 g/mol, XLogP of 9.70, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[(1S,2R,3R)-5-oxo-2-tributylstannyl-3-triethylsilyloxycyclopentyl]heptanoate is sourced from PubChem (CID 14297154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).