4-[[(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-3-en-1-yl]-hydroxymethyl]-3-methoxy-2H-furan-5-one

C19H32O5Si — CID 11199484

IUPAC4-[[(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-3-en-1-yl]-hydroxymethyl]-3-methoxy-2H-furan-5-one
SMILESCOC1=C(C(O)[C@@]2(C)CC=C[C@@H](O[Si](C)(C)C(C)(C)C)C2)C(=O)OC1
InChIInChI=1S/C19H32O5Si/c1-18(2,3)25(6,7)24-13-9-8-10-19(4,11-13)16(20)15-14(22-5)12-23-17(15)21/h8-9,13,16,20H,10-12H2,1-7H3/t13-,16?,19+/m1/s1
InChIKeyAHDMAGGLRUOCHC-LHQUYYRUSA-N
MW368.55 g/mol
LogP3.55
Rot. Bonds5

About 4-[[(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-3-en-1-yl]-hydroxymethyl]-3-methoxy-2H-furan-5-one

4-[[(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-3-en-1-yl]-hydroxymethyl]-3-methoxy-2H-furan-5-one (PubChem CID 11199484) has the molecular formula C19H32O5Si and a molecular weight of 368.55 g/mol. Its IUPAC name is 4-[[(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-3-en-1-yl]-hydroxymethyl]-3-methoxy-2H-furan-5-one.

Molecular Properties

Compound Name4-[[(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-3-en-1-yl]-hydroxymethyl]-3-methoxy-2H-furan-5-one
PubChem CID11199484
Molecular FormulaC19H32O5Si
Molecular Weight368.55 g/mol
Exact Mass368.20
IUPAC Name4-[[(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-3-en-1-yl]-hydroxymethyl]-3-methoxy-2H-furan-5-one
SMILESCOC1=C(C(O)[C@@]2(C)CC=C[C@@H](O[Si](C)(C)C(C)(C)C)C2)C(=O)OC1
InChIInChI=1S/C19H32O5Si/c1-18(2,3)25(6,7)24-13-9-8-10-19(4,11-13)16(20)15-14(22-5)12-23-17(15)21/h8-9,13,16,20H,10-12H2,1-7H3/t13-,16?,19+/m1/s1
InChIKeyAHDMAGGLRUOCHC-LHQUYYRUSA-N
XLogP3.55
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[[(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-3-en-1-yl]-hydroxymethyl]-3-methoxy-2H-furan-5-one 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 4-[[(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-3-en-1-yl]-hydroxymethyl]-3-methoxy-2H-furan-5-one?
The IUPAC name of 4-[[(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-3-en-1-yl]-hydroxymethyl]-3-methoxy-2H-furan-5-one (CID 11199484) is 4-[[(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-3-en-1-yl]-hydroxymethyl]-3-methoxy-2H-furan-5-one.
What is the SMILES notation for 4-[[(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-3-en-1-yl]-hydroxymethyl]-3-methoxy-2H-furan-5-one?
The canonical SMILES for 4-[[(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-3-en-1-yl]-hydroxymethyl]-3-methoxy-2H-furan-5-one is COC1=C(C(O)[C@@]2(C)CC=C[C@@H](O[Si](C)(C)C(C)(C)C)C2)C(=O)OC1.
What is the InChIKey of 4-[[(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-3-en-1-yl]-hydroxymethyl]-3-methoxy-2H-furan-5-one?
The InChIKey is AHDMAGGLRUOCHC-LHQUYYRUSA-N. The full InChI is InChI=1S/C19H32O5Si/c1-18(2,3)25(6,7)24-13-9-8-10-19(4,11-13)16(20)15-14(22-5)12-23-17(15)21/h8-9,13,16,20H,10-12H2,1-7H3/t13-,16?,19+/m1/s1.
What are the key properties of 4-[[(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-3-en-1-yl]-hydroxymethyl]-3-methoxy-2H-furan-5-one?
4-[[(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-3-en-1-yl]-hydroxymethyl]-3-methoxy-2H-furan-5-one has a molecular weight of 368.55 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-3-en-1-yl]-hydroxymethyl]-3-methoxy-2H-furan-5-one is sourced from PubChem (CID 11199484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).