(4aR,5S,6R,7aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(oxan-2-yloxy)-7a-[(4-phenylphenyl)methyl]-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-3-ol

C43H52O5Si — CID 14674954

IUPAC(4aR,5S,6R,7aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(oxan-2-yloxy)-7a-[(4-phenylphenyl)methyl]-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-3-ol
SMILESCC(C)(C)[Si](OC[C@@H]1[C@H]2CC(O)OC[C@@]2(Cc2ccc(-c3ccccc3)cc2)C[C@H]1OC1CCCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H52O5Si/c1-42(2,3)49(35-17-9-5-10-18-35,36-19-11-6-12-20-36)47-30-37-38-27-40(44)46-31-43(38,29-39(37)48-41-21-13-14-26-45-41)28-32-22-24-34(25-23-32)33-15-7-4-8-16-33/h4-12,15-20,22-25,37-41,44H,13-14,21,26-31H2,1-3H3/t37-,38-,39-,40?,41?,43-/m1/s1
InChIKeyFTOIPAINHUBRBM-FKMYOLNYSA-N
MW676.97 g/mol
LogP7.75
Rot. Bonds10

About (4aR,5S,6R,7aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(oxan-2-yloxy)-7a-[(4-phenylphenyl)methyl]-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-3-ol

(4aR,5S,6R,7aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(oxan-2-yloxy)-7a-[(4-phenylphenyl)methyl]-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-3-ol (PubChem CID 14674954) has the molecular formula C43H52O5Si and a molecular weight of 676.97 g/mol. Its IUPAC name is (4aR,5S,6R,7aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(oxan-2-yloxy)-7a-[(4-phenylphenyl)methyl]-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-3-ol.

Molecular Properties

Compound Name(4aR,5S,6R,7aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(oxan-2-yloxy)-7a-[(4-phenylphenyl)methyl]-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-3-ol
PubChem CID14674954
Molecular FormulaC43H52O5Si
Molecular Weight676.97 g/mol
Exact Mass676.36
IUPAC Name(4aR,5S,6R,7aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(oxan-2-yloxy)-7a-[(4-phenylphenyl)methyl]-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-3-ol
SMILESCC(C)(C)[Si](OC[C@@H]1[C@H]2CC(O)OC[C@@]2(Cc2ccc(-c3ccccc3)cc2)C[C@H]1OC1CCCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H52O5Si/c1-42(2,3)49(35-17-9-5-10-18-35,36-19-11-6-12-20-36)47-30-37-38-27-40(44)46-31-43(38,29-39(37)48-41-21-13-14-26-45-41)28-32-22-24-34(25-23-32)33-15-7-4-8-16-33/h4-12,15-20,22-25,37-41,44H,13-14,21,26-31H2,1-3H3/t37-,38-,39-,40?,41?,43-/m1/s1
InChIKeyFTOIPAINHUBRBM-FKMYOLNYSA-N
XLogP7.75
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.97
LogP ≤ 57.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4aR,5S,6R,7aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(oxan-2-yloxy)-7a-[(4-phenylphenyl)methyl]-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-3-ol 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

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
2-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(4-fluorophenyl)-2-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopentyl]acetic acid
CID 19745383
(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
[(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxepan-3-yl] formate
CID 10949681
tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
(2R,3S)-2-[[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]oxan-3-ol
CID 102426988
[(1R,2S,3R,4R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[(Z)-7-methoxy-7-oxohept-2-enyl]-4-(oxan-2-yloxy)cyclopentyl] benzoate
CID 67797043
tert-butyl-[(2S)-2-(oxan-2-yloxy)-3-phenylmethoxypropoxy]-diphenylsilane
CID 10885655
(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2R)-oxan-2-yl]ethanol
CID 15318695
5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-3-(oxan-2-yloxy)pentan-1-ol
CID 22244455
(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[1-(oxan-2-yloxy)cyclopropyl]ethanamine
CID 169181483
tert-butyl-[[(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropyl]methoxy]-diphenylsilane
CID 166561282

Frequently Asked Questions

What is the IUPAC name of (4aR,5S,6R,7aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(oxan-2-yloxy)-7a-[(4-phenylphenyl)methyl]-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-3-ol?
The IUPAC name of (4aR,5S,6R,7aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(oxan-2-yloxy)-7a-[(4-phenylphenyl)methyl]-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-3-ol (CID 14674954) is (4aR,5S,6R,7aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(oxan-2-yloxy)-7a-[(4-phenylphenyl)methyl]-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-3-ol.
What is the SMILES notation for (4aR,5S,6R,7aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(oxan-2-yloxy)-7a-[(4-phenylphenyl)methyl]-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-3-ol?
The canonical SMILES for (4aR,5S,6R,7aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(oxan-2-yloxy)-7a-[(4-phenylphenyl)methyl]-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-3-ol is CC(C)(C)[Si](OC[C@@H]1[C@H]2CC(O)OC[C@@]2(Cc2ccc(-c3ccccc3)cc2)C[C@H]1OC1CCCCO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4aR,5S,6R,7aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(oxan-2-yloxy)-7a-[(4-phenylphenyl)methyl]-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-3-ol?
The InChIKey is FTOIPAINHUBRBM-FKMYOLNYSA-N. The full InChI is InChI=1S/C43H52O5Si/c1-42(2,3)49(35-17-9-5-10-18-35,36-19-11-6-12-20-36)47-30-37-38-27-40(44)46-31-43(38,29-39(37)48-41-21-13-14-26-45-41)28-32-22-24-34(25-23-32)33-15-7-4-8-16-33/h4-12,15-20,22-25,37-41,44H,13-14,21,26-31H2,1-3H3/t37-,38-,39-,40?,41?,43-/m1/s1.
What are the key properties of (4aR,5S,6R,7aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(oxan-2-yloxy)-7a-[(4-phenylphenyl)methyl]-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-3-ol?
(4aR,5S,6R,7aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(oxan-2-yloxy)-7a-[(4-phenylphenyl)methyl]-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-3-ol has a molecular weight of 676.97 g/mol, XLogP of 7.75, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,5S,6R,7aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(oxan-2-yloxy)-7a-[(4-phenylphenyl)methyl]-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-3-ol is sourced from PubChem (CID 14674954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).