(2S,3aR,6aS)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6a-methyl-3,3a,4,6-tetrahydro-2H-cyclopenta[b]furan-5-one

C25H32O3Si — CID 23631220

IUPAC(2S,3aR,6aS)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6a-methyl-3,3a,4,6-tetrahydro-2H-cyclopenta[b]furan-5-one
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@@H]2CC(=O)C[C@]2(C)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H32O3Si/c1-24(2,3)29(22-11-7-5-8-12-22,23-13-9-6-10-14-23)27-18-21-16-19-15-20(26)17-25(19,4)28-21/h5-14,19,21H,15-18H2,1-4H3/t19-,21-,25-/m0/s1
InChIKeyZYCBBTXESYMBDX-OWHZGTRUSA-N
MW408.61 g/mol
LogP4.09
Rot. Bonds5

About (2S,3aR,6aS)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6a-methyl-3,3a,4,6-tetrahydro-2H-cyclopenta[b]furan-5-one

(2S,3aR,6aS)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6a-methyl-3,3a,4,6-tetrahydro-2H-cyclopenta[b]furan-5-one (PubChem CID 23631220) has the molecular formula C25H32O3Si and a molecular weight of 408.61 g/mol. Its IUPAC name is (2S,3aR,6aS)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6a-methyl-3,3a,4,6-tetrahydro-2H-cyclopenta[b]furan-5-one.

Molecular Properties

Compound Name(2S,3aR,6aS)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6a-methyl-3,3a,4,6-tetrahydro-2H-cyclopenta[b]furan-5-one
PubChem CID23631220
Molecular FormulaC25H32O3Si
Molecular Weight408.61 g/mol
Exact Mass408.21
IUPAC Name(2S,3aR,6aS)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6a-methyl-3,3a,4,6-tetrahydro-2H-cyclopenta[b]furan-5-one
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@@H]2CC(=O)C[C@]2(C)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H32O3Si/c1-24(2,3)29(22-11-7-5-8-12-22,23-13-9-6-10-14-23)27-18-21-16-19-15-20(26)17-25(19,4)28-21/h5-14,19,21H,15-18H2,1-4H3/t19-,21-,25-/m0/s1
InChIKeyZYCBBTXESYMBDX-OWHZGTRUSA-N
XLogP4.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.61
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,3aR,6aS)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6a-methyl-3,3a,4,6-tetrahydro-2H-cyclopenta[b]furan-5-one with MolForge

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Related Compounds

(4S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-2-one
CID 163054050
(3S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one
CID 71234875
(2S,3aS,6aS)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 11188665
6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
CID 15674842
(3S,5R)-3-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
CID 11954841
[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]methanol
CID 16736190
5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-[4-(trifluoromethyl)phenyl]oxolan-2-ol
CID 123838432
cis-(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde
CID 162119958
tert-butyl 2-[(2S,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxy-3,3-dimethyloxan-2-yl]acetate
CID 10918604
(3aR,4S,7aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,5-dimethyl-3,4,7,7a-tetrahydro-1-benzofuran-2-one
CID 11568257
(2R)-4-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylbutan-1-ol
CID 42600017
tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386

Frequently Asked Questions

What is the IUPAC name of (2S,3aR,6aS)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6a-methyl-3,3a,4,6-tetrahydro-2H-cyclopenta[b]furan-5-one?
The IUPAC name of (2S,3aR,6aS)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6a-methyl-3,3a,4,6-tetrahydro-2H-cyclopenta[b]furan-5-one (CID 23631220) is (2S,3aR,6aS)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6a-methyl-3,3a,4,6-tetrahydro-2H-cyclopenta[b]furan-5-one.
What is the SMILES notation for (2S,3aR,6aS)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6a-methyl-3,3a,4,6-tetrahydro-2H-cyclopenta[b]furan-5-one?
The canonical SMILES for (2S,3aR,6aS)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6a-methyl-3,3a,4,6-tetrahydro-2H-cyclopenta[b]furan-5-one is CC(C)(C)[Si](OC[C@@H]1C[C@@H]2CC(=O)C[C@]2(C)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3aR,6aS)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6a-methyl-3,3a,4,6-tetrahydro-2H-cyclopenta[b]furan-5-one?
The InChIKey is ZYCBBTXESYMBDX-OWHZGTRUSA-N. The full InChI is InChI=1S/C25H32O3Si/c1-24(2,3)29(22-11-7-5-8-12-22,23-13-9-6-10-14-23)27-18-21-16-19-15-20(26)17-25(19,4)28-21/h5-14,19,21H,15-18H2,1-4H3/t19-,21-,25-/m0/s1.
What are the key properties of (2S,3aR,6aS)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6a-methyl-3,3a,4,6-tetrahydro-2H-cyclopenta[b]furan-5-one?
(2S,3aR,6aS)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6a-methyl-3,3a,4,6-tetrahydro-2H-cyclopenta[b]furan-5-one has a molecular weight of 408.61 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aR,6aS)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6a-methyl-3,3a,4,6-tetrahydro-2H-cyclopenta[b]furan-5-one is sourced from PubChem (CID 23631220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).