4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

C24H29FO3Si — CID 18769182

IUPAC4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESCC(C)(C)[Si](OCC1C(F)CC2OC(=O)CC21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H29FO3Si/c1-24(2,3)29(17-10-6-4-7-11-17,18-12-8-5-9-13-18)27-16-20-19-14-23(26)28-22(19)15-21(20)25/h4-13,19-22H,14-16H2,1-3H3
InChIKeyICMDJQNVBUZZGZ-UHFFFAOYSA-N
MW412.58 g/mol
LogP3.85
Rot. Bonds5

About 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 18769182) has the molecular formula C24H29FO3Si and a molecular weight of 412.58 g/mol. Its IUPAC name is 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID18769182
Molecular FormulaC24H29FO3Si
Molecular Weight412.58 g/mol
Exact Mass412.19
IUPAC Name4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESCC(C)(C)[Si](OCC1C(F)CC2OC(=O)CC21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H29FO3Si/c1-24(2,3)29(17-10-6-4-7-11-17,18-12-8-5-9-13-18)27-16-20-19-14-23(26)28-22(19)15-21(20)25/h4-13,19-22H,14-16H2,1-3H3
InChIKeyICMDJQNVBUZZGZ-UHFFFAOYSA-N
XLogP3.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one 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 2-[(1R,2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylcyclopentyl]acetate
CID 134900951
(3aR,4S,5R,6aS)-5-[dimethyl(phenyl)silyl]-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 156722617
(3aR,4S,5S,6aS)-4-((tert-butyldiphenylsilyloxy)methyl)-5-fluorohexahydro-2H-cyclopenta[b]furan-2-one
CID 12073620
propan-2-yl (E)-7-[(1R,2S,3S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoate
CID 12073622
(3aR,4R,5S,6aS)-4-[(t-Butyldiphenylsiloxy)methyl]-5-fluorohexahydro-2H-cyclopenta[b]furan-2-one
CID 22951117
(Z)-isopropyl 7-((1R,2S,3S,5S)-2-((tert-butyldiphenylsilyloxy)methyl)-3-fluoro-5-hydroxycyclopentyl)hept-5-enoate
CID 57857026
propan-2-yl 7-[(1R,2S,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoate
CID 67000663
propan-2-yl 7-[(1R,2S,3S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoate
CID 67000664
(3aR,4R,5S,6aS)-5-fluoro-4-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 70670666
methyl 5-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-3,3a,4,5,6,6a-hexahydro-2H-pentalene-1-carboxylate
CID 166484621
ethyl (1R,3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluorocyclopentane-1-carboxylate
CID 169142929
methyl 2-[(1S,2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxycyclopentyl]acetate
CID 18652279

Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 18769182) is 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is CC(C)(C)[Si](OCC1C(F)CC2OC(=O)CC21)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is ICMDJQNVBUZZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FO3Si/c1-24(2,3)29(17-10-6-4-7-11-17,18-12-8-5-9-13-18)27-16-20-19-14-23(26)28-22(19)15-21(20)25/h4-13,19-22H,14-16H2,1-3H3.
What are the key properties of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 412.58 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 18769182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).