(6S,6aS)-6-[tert-butyl(diphenyl)silyl]oxy-6a-methyl-5,6-dihydro-4H-cyclopenta[b]furan-2-one

C24H28O3Si — CID 152599118

IUPAC(6S,6aS)-6-[tert-butyl(diphenyl)silyl]oxy-6a-methyl-5,6-dihydro-4H-cyclopenta[b]furan-2-one
SMILESCC(C)(C)[Si](O[C@H]1CCC2=CC(=O)O[C@@]21C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28O3Si/c1-23(2,3)28(19-11-7-5-8-12-19,20-13-9-6-10-14-20)27-21-16-15-18-17-22(25)26-24(18,21)4/h5-14,17,21H,15-16H2,1-4H3/t21-,24-/m0/s1
InChIKeyYXDGUCOLKAGROH-URXFXBBRSA-N
MW392.57 g/mol
LogP3.97
Rot. Bonds4

About (6S,6aS)-6-[tert-butyl(diphenyl)silyl]oxy-6a-methyl-5,6-dihydro-4H-cyclopenta[b]furan-2-one

(6S,6aS)-6-[tert-butyl(diphenyl)silyl]oxy-6a-methyl-5,6-dihydro-4H-cyclopenta[b]furan-2-one (PubChem CID 152599118) has the molecular formula C24H28O3Si and a molecular weight of 392.57 g/mol. Its IUPAC name is (6S,6aS)-6-[tert-butyl(diphenyl)silyl]oxy-6a-methyl-5,6-dihydro-4H-cyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(6S,6aS)-6-[tert-butyl(diphenyl)silyl]oxy-6a-methyl-5,6-dihydro-4H-cyclopenta[b]furan-2-one
PubChem CID152599118
Molecular FormulaC24H28O3Si
Molecular Weight392.57 g/mol
Exact Mass392.18
IUPAC Name(6S,6aS)-6-[tert-butyl(diphenyl)silyl]oxy-6a-methyl-5,6-dihydro-4H-cyclopenta[b]furan-2-one
SMILESCC(C)(C)[Si](O[C@H]1CCC2=CC(=O)O[C@@]21C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28O3Si/c1-23(2,3)28(19-11-7-5-8-12-19,20-13-9-6-10-14-20)27-21-16-15-18-17-22(25)26-24(18,21)4/h5-14,17,21H,15-16H2,1-4H3/t21-,24-/m0/s1
InChIKeyYXDGUCOLKAGROH-URXFXBBRSA-N
XLogP3.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6S,6aS)-6-[tert-butyl(diphenyl)silyl]oxy-6a-methyl-5,6-dihydro-4H-cyclopenta[b]furan-2-one with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[(3R)-2,2-dimethyloxolan-3-yl]oxy-diphenylsilane
CID 125472963
(5R,9R)-9-[tert-butyl(diphenyl)silyl]oxyspiro[4.4]nonan-4-one
CID 10453157
(5R,10R)-10-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]decan-4-one
CID 10250796
6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-1,3-dioxin-4-one
CID 15327231
tert-butyl-[[(8S)-7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-diphenylsilane
CID 146029391
(1S,3S,7aS)-1-[tert-butyl(diphenyl)silyl]oxy-7a-methyl-3-propan-2-yl-2,3,6,7-tetrahydro-1H-inden-5-one
CID 10072268
tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane
CID 171553746
(3aR,4R,7aS)-4-[tert-butyl(diphenyl)silyl]oxy-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-one
CID 11373147
4-[tert-butyl(diphenyl)silyl]oxy-2-iodocyclohex-2-en-1-one
CID 11352003
tert-butyl-[4-(4-iodopiperidin-1-yl)-4-methyloxolan-3-yl]oxy-diphenylsilane
CID 156730757
(7R)-7-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxaspiro[4.5]decan-8-one
CID 67092775
tert-butyl-[[(1R,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane
CID 102008296

Frequently Asked Questions

What is the IUPAC name of (6S,6aS)-6-[tert-butyl(diphenyl)silyl]oxy-6a-methyl-5,6-dihydro-4H-cyclopenta[b]furan-2-one?
The IUPAC name of (6S,6aS)-6-[tert-butyl(diphenyl)silyl]oxy-6a-methyl-5,6-dihydro-4H-cyclopenta[b]furan-2-one (CID 152599118) is (6S,6aS)-6-[tert-butyl(diphenyl)silyl]oxy-6a-methyl-5,6-dihydro-4H-cyclopenta[b]furan-2-one.
What is the SMILES notation for (6S,6aS)-6-[tert-butyl(diphenyl)silyl]oxy-6a-methyl-5,6-dihydro-4H-cyclopenta[b]furan-2-one?
The canonical SMILES for (6S,6aS)-6-[tert-butyl(diphenyl)silyl]oxy-6a-methyl-5,6-dihydro-4H-cyclopenta[b]furan-2-one is CC(C)(C)[Si](O[C@H]1CCC2=CC(=O)O[C@@]21C)(c1ccccc1)c1ccccc1.
What is the InChIKey of (6S,6aS)-6-[tert-butyl(diphenyl)silyl]oxy-6a-methyl-5,6-dihydro-4H-cyclopenta[b]furan-2-one?
The InChIKey is YXDGUCOLKAGROH-URXFXBBRSA-N. The full InChI is InChI=1S/C24H28O3Si/c1-23(2,3)28(19-11-7-5-8-12-19,20-13-9-6-10-14-20)27-21-16-15-18-17-22(25)26-24(18,21)4/h5-14,17,21H,15-16H2,1-4H3/t21-,24-/m0/s1.
What are the key properties of (6S,6aS)-6-[tert-butyl(diphenyl)silyl]oxy-6a-methyl-5,6-dihydro-4H-cyclopenta[b]furan-2-one?
(6S,6aS)-6-[tert-butyl(diphenyl)silyl]oxy-6a-methyl-5,6-dihydro-4H-cyclopenta[b]furan-2-one has a molecular weight of 392.57 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,6aS)-6-[tert-butyl(diphenyl)silyl]oxy-6a-methyl-5,6-dihydro-4H-cyclopenta[b]furan-2-one is sourced from PubChem (CID 152599118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).