[3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2,2-trimethylcyclopentyl]-3-oxopropyl] acetate

C19H36O4Si — CID 10737010

IUPAC[3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2,2-trimethylcyclopentyl]-3-oxopropyl] acetate
SMILESCC(=O)OCCC(=O)[C@]1(C)C[C@@H](O[Si](C)(C)C(C)(C)C)CC1(C)C
InChIInChI=1S/C19H36O4Si/c1-14(20)22-11-10-16(21)19(7)13-15(12-18(19,5)6)23-24(8,9)17(2,3)4/h15H,10-13H2,1-9H3/t15-,19-/m0/s1
InChIKeyQCLLHFMCOWDTMK-KXBFYZLASA-N
MW356.58 g/mol
LogP4.73
Rot. Bonds6

About [3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2,2-trimethylcyclopentyl]-3-oxopropyl] acetate

[3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2,2-trimethylcyclopentyl]-3-oxopropyl] acetate (PubChem CID 10737010) has the molecular formula C19H36O4Si and a molecular weight of 356.58 g/mol. Its IUPAC name is [3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2,2-trimethylcyclopentyl]-3-oxopropyl] acetate.

Molecular Properties

Compound Name[3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2,2-trimethylcyclopentyl]-3-oxopropyl] acetate
PubChem CID10737010
Molecular FormulaC19H36O4Si
Molecular Weight356.58 g/mol
Exact Mass356.24
IUPAC Name[3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2,2-trimethylcyclopentyl]-3-oxopropyl] acetate
SMILESCC(=O)OCCC(=O)[C@]1(C)C[C@@H](O[Si](C)(C)C(C)(C)C)CC1(C)C
InChIInChI=1S/C19H36O4Si/c1-14(20)22-11-10-16(21)19(7)13-15(12-18(19,5)6)23-24(8,9)17(2,3)4/h15H,10-13H2,1-9H3/t15-,19-/m0/s1
InChIKeyQCLLHFMCOWDTMK-KXBFYZLASA-N
XLogP4.73
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2,2-trimethylcyclopentyl]-3-oxopropyl] acetate 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 [3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2,2-trimethylcyclopentyl]-3-oxopropyl] acetate?
The IUPAC name of [3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2,2-trimethylcyclopentyl]-3-oxopropyl] acetate (CID 10737010) is [3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2,2-trimethylcyclopentyl]-3-oxopropyl] acetate.
What is the SMILES notation for [3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2,2-trimethylcyclopentyl]-3-oxopropyl] acetate?
The canonical SMILES for [3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2,2-trimethylcyclopentyl]-3-oxopropyl] acetate is CC(=O)OCCC(=O)[C@]1(C)C[C@@H](O[Si](C)(C)C(C)(C)C)CC1(C)C.
What is the InChIKey of [3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2,2-trimethylcyclopentyl]-3-oxopropyl] acetate?
The InChIKey is QCLLHFMCOWDTMK-KXBFYZLASA-N. The full InChI is InChI=1S/C19H36O4Si/c1-14(20)22-11-10-16(21)19(7)13-15(12-18(19,5)6)23-24(8,9)17(2,3)4/h15H,10-13H2,1-9H3/t15-,19-/m0/s1.
What are the key properties of [3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2,2-trimethylcyclopentyl]-3-oxopropyl] acetate?
[3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2,2-trimethylcyclopentyl]-3-oxopropyl] acetate has a molecular weight of 356.58 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,2,2-trimethylcyclopentyl]-3-oxopropyl] acetate is sourced from PubChem (CID 10737010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).