[(3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-yl] acetate

C17H36O3Si — CID 11381522

IUPAC[(3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-yl] acetate
SMILESCC[C@@H](OC(C)=O)[C@@H](C)C[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O3Si/c1-10-16(20-15(4)18)14(3)11-13(2)12-19-21(8,9)17(5,6)7/h13-14,16H,10-12H2,1-9H3/t13-,14+,16-/m1/s1
InChIKeyPNHLLDFKZODSCA-IJEWVQPXSA-N
MW316.56 g/mol
LogP5.01
Rot. Bonds8

About [(3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-yl] acetate

[(3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-yl] acetate (PubChem CID 11381522) has the molecular formula C17H36O3Si and a molecular weight of 316.56 g/mol. Its IUPAC name is [(3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-yl] acetate.

Molecular Properties

Compound Name[(3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-yl] acetate
PubChem CID11381522
Molecular FormulaC17H36O3Si
Molecular Weight316.56 g/mol
Exact Mass316.24
IUPAC Name[(3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-yl] acetate
SMILESCC[C@@H](OC(C)=O)[C@@H](C)C[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O3Si/c1-10-16(20-15(4)18)14(3)11-13(2)12-19-21(8,9)17(5,6)7/h13-14,16H,10-12H2,1-9H3/t13-,14+,16-/m1/s1
InChIKeyPNHLLDFKZODSCA-IJEWVQPXSA-N
XLogP5.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.56
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-yl] acetate 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

[(3R,4R,5S,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6,8-tetramethylnonan-3-yl] acetate
CID 58876335
ethyl (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyldecanoate
CID 56591110
1-[Tert-butyl(dimethyl)silyl]oxynonan-5-yl acetate
CID 134880795
[3,7-Bis[[tert-butyl(dimethyl)silyl]oxy]-9-methoxy-2,4,6,8-tetramethyldecyl] propanoate
CID 58822510
[(3R,4R,5S,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6,8-tetramethylnonan-3-yl] acetate
CID 89353450
[(1R,3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] acetate
CID 140306926
[7-Acetyloxy-5-[hydroxy(dimethyl)silyl]oxy-2,8-dimethylnonan-3-yl] acetate
CID 140844082
[(2R,3R,4S,5S,8S,9S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8-trimethyltridecan-5-yl] propanoate
CID 155619146
[(2R,3R,4S,5R,8S,9S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8-trimethyltridecan-5-yl] propanoate
CID 155619158
[(2R,3R,4S,5R,8S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8,12-tetramethyltridecan-5-yl] 2-methylpropanoate
CID 155619160
[(3R,4R,5S,6R,9S,10S,12R)-12-[tert-butyl(dimethyl)silyl]oxy-4,10-dimethoxy-3,5,9-trimethyltetradecan-6-yl] propanoate
CID 157787437
[(3R,4R,5S,6S,9S,10S,12R)-12-[tert-butyl(dimethyl)silyl]oxy-4,10-dimethoxy-3,5,9-trimethyltetradecan-6-yl] propanoate
CID 157787438

Frequently Asked Questions

What is the IUPAC name of [(3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-yl] acetate?
The IUPAC name of [(3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-yl] acetate (CID 11381522) is [(3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-yl] acetate.
What is the SMILES notation for [(3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-yl] acetate?
The canonical SMILES for [(3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-yl] acetate is CC[C@@H](OC(C)=O)[C@@H](C)C[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-yl] acetate?
The InChIKey is PNHLLDFKZODSCA-IJEWVQPXSA-N. The full InChI is InChI=1S/C17H36O3Si/c1-10-16(20-15(4)18)14(3)11-13(2)12-19-21(8,9)17(5,6)7/h13-14,16H,10-12H2,1-9H3/t13-,14+,16-/m1/s1.
What are the key properties of [(3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-yl] acetate?
[(3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-yl] acetate has a molecular weight of 316.56 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-yl] acetate is sourced from PubChem (CID 11381522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).