[(1S,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-formyl-5-trimethylsilylcyclopent-2-en-1-yl] acetate

C18H34O4Si2 — CID 146019852

IUPAC[(1S,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-formyl-5-trimethylsilylcyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1C=C(C=O)[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1[Si](C)(C)C
InChIInChI=1S/C18H34O4Si2/c1-13(20)22-16-10-14(11-19)15(17(16)23(5,6)7)12-21-24(8,9)18(2,3)4/h10-11,15-17H,12H2,1-9H3/t15-,16+,17+/m1/s1
InChIKeyKYJUPSJTROJYIT-IKGGRYGDSA-N
MW370.64 g/mol
LogP4.40
Rot. Bonds6

About [(1S,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-formyl-5-trimethylsilylcyclopent-2-en-1-yl] acetate

[(1S,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-formyl-5-trimethylsilylcyclopent-2-en-1-yl] acetate (PubChem CID 146019852) has the molecular formula C18H34O4Si2 and a molecular weight of 370.64 g/mol. Its IUPAC name is [(1S,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-formyl-5-trimethylsilylcyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1S,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-formyl-5-trimethylsilylcyclopent-2-en-1-yl] acetate
PubChem CID146019852
Molecular FormulaC18H34O4Si2
Molecular Weight370.64 g/mol
Exact Mass370.20
IUPAC Name[(1S,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-formyl-5-trimethylsilylcyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1C=C(C=O)[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1[Si](C)(C)C
InChIInChI=1S/C18H34O4Si2/c1-13(20)22-16-10-14(11-19)15(17(16)23(5,6)7)12-21-24(8,9)18(2,3)4/h10-11,15-17H,12H2,1-9H3/t15-,16+,17+/m1/s1
InChIKeyKYJUPSJTROJYIT-IKGGRYGDSA-N
XLogP4.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.64
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(1S,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-formyl-5-trimethylsilylcyclopent-2-en-1-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

Frequently Asked Questions

What is the IUPAC name of [(1S,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-formyl-5-trimethylsilylcyclopent-2-en-1-yl] acetate?
The IUPAC name of [(1S,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-formyl-5-trimethylsilylcyclopent-2-en-1-yl] acetate (CID 146019852) is [(1S,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-formyl-5-trimethylsilylcyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [(1S,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-formyl-5-trimethylsilylcyclopent-2-en-1-yl] acetate?
The canonical SMILES for [(1S,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-formyl-5-trimethylsilylcyclopent-2-en-1-yl] acetate is CC(=O)O[C@H]1C=C(C=O)[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1[Si](C)(C)C.
What is the InChIKey of [(1S,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-formyl-5-trimethylsilylcyclopent-2-en-1-yl] acetate?
The InChIKey is KYJUPSJTROJYIT-IKGGRYGDSA-N. The full InChI is InChI=1S/C18H34O4Si2/c1-13(20)22-16-10-14(11-19)15(17(16)23(5,6)7)12-21-24(8,9)18(2,3)4/h10-11,15-17H,12H2,1-9H3/t15-,16+,17+/m1/s1.
What are the key properties of [(1S,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-formyl-5-trimethylsilylcyclopent-2-en-1-yl] acetate?
[(1S,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-formyl-5-trimethylsilylcyclopent-2-en-1-yl] acetate has a molecular weight of 370.64 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-formyl-5-trimethylsilylcyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 146019852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).