(3aR,4S,5R,6aS)-4-tert-butyl-6a-(diphenylsilyloxymethyl)-5-(oxan-2-yloxy)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one

C29H38O5Si — CID 173358608

IUPAC(3aR,4S,5R,6aS)-4-tert-butyl-6a-(diphenylsilyloxymethyl)-5-(oxan-2-yloxy)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
SMILESCC(C)(C)[C@@H]1[C@H]2CC(=O)O[C@@]2(CO[SiH](c2ccccc2)c2ccccc2)C[C@H]1OC1CCCCO1
InChIInChI=1S/C29H38O5Si/c1-28(2,3)27-23-18-25(30)34-29(23,19-24(27)33-26-16-10-11-17-31-26)20-32-35(21-12-6-4-7-13-21)22-14-8-5-9-15-22/h4-9,12-15,23-24,26-27,35H,10-11,16-20H2,1-3H3/t23-,24-,26?,27-,29-/m1/s1
InChIKeyGYXBKEFDFYGBSN-UVPFGBQDSA-N
MW494.70 g/mol
LogP3.82
Rot. Bonds7

About (3aR,4S,5R,6aS)-4-tert-butyl-6a-(diphenylsilyloxymethyl)-5-(oxan-2-yloxy)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one

(3aR,4S,5R,6aS)-4-tert-butyl-6a-(diphenylsilyloxymethyl)-5-(oxan-2-yloxy)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one (PubChem CID 173358608) has the molecular formula C29H38O5Si and a molecular weight of 494.70 g/mol. Its IUPAC name is (3aR,4S,5R,6aS)-4-tert-butyl-6a-(diphenylsilyloxymethyl)-5-(oxan-2-yloxy)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3aR,4S,5R,6aS)-4-tert-butyl-6a-(diphenylsilyloxymethyl)-5-(oxan-2-yloxy)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
PubChem CID173358608
Molecular FormulaC29H38O5Si
Molecular Weight494.70 g/mol
Exact Mass494.25
IUPAC Name(3aR,4S,5R,6aS)-4-tert-butyl-6a-(diphenylsilyloxymethyl)-5-(oxan-2-yloxy)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
SMILESCC(C)(C)[C@@H]1[C@H]2CC(=O)O[C@@]2(CO[SiH](c2ccccc2)c2ccccc2)C[C@H]1OC1CCCCO1
InChIInChI=1S/C29H38O5Si/c1-28(2,3)27-23-18-25(30)34-29(23,19-24(27)33-26-16-10-11-17-31-26)20-32-35(21-12-6-4-7-13-21)22-14-8-5-9-15-22/h4-9,12-15,23-24,26-27,35H,10-11,16-20H2,1-3H3/t23-,24-,26?,27-,29-/m1/s1
InChIKeyGYXBKEFDFYGBSN-UVPFGBQDSA-N
XLogP3.82
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.70
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3aR,4S,5R,6aS)-4-tert-butyl-6a-(diphenylsilyloxymethyl)-5-(oxan-2-yloxy)-3a,4,5,6-tetrahydro-3H-cyclopenta[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

(4aR,5S,6R,7aS)-5-(1-diphenylsilyloxy-2,2-dimethylpropyl)-6-(oxan-2-yloxy)-7a-(2-phenylethyl)-1,4,4a,5,6,7-hexahydrocyclopenta[c]pyran-3-one
CID 173361462
(3aR,4S,5R,6aR)-6a-benzyl-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-5-(oxan-2-yloxy)-1,3,3a,4,5,6-hexahydropentalen-2-one
CID 173361327
5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(oxan-2-yloxy)-7a-pentyl-1,4,4a,5,6,7-hexahydrocyclopenta[c]pyran-3-one
CID 67858889
tert-butyl (3R,5S)-5-tert-butyl-3-(diphenylsilyloxymethyl)-3-methyl-2-oxopyrrolidine-1-carboxylate
CID 173256595
(4S,5R,6aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6a-methyl-5-(oxan-2-yloxy)-1,3,3a,4,5,6-hexahydropentalen-2-one
CID 22821529
2-[(2-methylsulfanylphenyl)methoxy]oxane
CID 156806048
[4-(oxan-2-yloxy)phenyl]-diphenylsilane
CID 174039568
2-methyl-2-(oxan-2-yloxy)-1-phenylpropan-1-one
CID 22163386
oxan-2-yl 3-phenylpropanoate
CID 10609743
(Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxan-2-yloxy)-2-[2-[2-(2-phenylethyl)-1,3-dioxolan-2-yl]ethyl]cyclopentyl]-N-ethylhept-5-enamide
CID 58657879
2-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(4-fluorophenyl)-2-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopentyl]acetic acid
CID 19745383
(1R,3R,4R)-1-ethyl-3-hydroxy-4-[(2R)-oxan-2-yl]oxycyclohexane-1-carboxylic acid
CID 141140423

Frequently Asked Questions

What is the IUPAC name of (3aR,4S,5R,6aS)-4-tert-butyl-6a-(diphenylsilyloxymethyl)-5-(oxan-2-yloxy)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one?
The IUPAC name of (3aR,4S,5R,6aS)-4-tert-butyl-6a-(diphenylsilyloxymethyl)-5-(oxan-2-yloxy)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one (CID 173358608) is (3aR,4S,5R,6aS)-4-tert-butyl-6a-(diphenylsilyloxymethyl)-5-(oxan-2-yloxy)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one.
What is the SMILES notation for (3aR,4S,5R,6aS)-4-tert-butyl-6a-(diphenylsilyloxymethyl)-5-(oxan-2-yloxy)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one?
The canonical SMILES for (3aR,4S,5R,6aS)-4-tert-butyl-6a-(diphenylsilyloxymethyl)-5-(oxan-2-yloxy)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one is CC(C)(C)[C@@H]1[C@H]2CC(=O)O[C@@]2(CO[SiH](c2ccccc2)c2ccccc2)C[C@H]1OC1CCCCO1.
What is the InChIKey of (3aR,4S,5R,6aS)-4-tert-butyl-6a-(diphenylsilyloxymethyl)-5-(oxan-2-yloxy)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one?
The InChIKey is GYXBKEFDFYGBSN-UVPFGBQDSA-N. The full InChI is InChI=1S/C29H38O5Si/c1-28(2,3)27-23-18-25(30)34-29(23,19-24(27)33-26-16-10-11-17-31-26)20-32-35(21-12-6-4-7-13-21)22-14-8-5-9-15-22/h4-9,12-15,23-24,26-27,35H,10-11,16-20H2,1-3H3/t23-,24-,26?,27-,29-/m1/s1.
What are the key properties of (3aR,4S,5R,6aS)-4-tert-butyl-6a-(diphenylsilyloxymethyl)-5-(oxan-2-yloxy)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one?
(3aR,4S,5R,6aS)-4-tert-butyl-6a-(diphenylsilyloxymethyl)-5-(oxan-2-yloxy)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one has a molecular weight of 494.70 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4S,5R,6aS)-4-tert-butyl-6a-(diphenylsilyloxymethyl)-5-(oxan-2-yloxy)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one is sourced from PubChem (CID 173358608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).