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

C24H32O3Si — CID 15018447

IUPAC(3aR,4S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESCC(C)(C)[Si](OC[C@H]1CC[C@@H]2OC(O)C[C@H]12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32O3Si/c1-24(2,3)28(19-10-6-4-7-11-19,20-12-8-5-9-13-20)26-17-18-14-15-22-21(18)16-23(25)27-22/h4-13,18,21-23,25H,14-17H2,1-3H3/t18-,21-,22+,23?/m1/s1
InChIKeyDJMRFVZDZTXPIT-ZYGDZFMBSA-N
MW396.60 g/mol
LogP3.70
Rot. Bonds5

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

(3aR,4S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol (PubChem CID 15018447) has the molecular formula C24H32O3Si and a molecular weight of 396.60 g/mol. Its IUPAC name is (3aR,4S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol.

Molecular Properties

Compound Name(3aR,4S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
PubChem CID15018447
Molecular FormulaC24H32O3Si
Molecular Weight396.60 g/mol
Exact Mass396.21
IUPAC Name(3aR,4S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESCC(C)(C)[Si](OC[C@H]1CC[C@@H]2OC(O)C[C@H]12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32O3Si/c1-24(2,3)28(19-10-6-4-7-11-19,20-12-8-5-9-13-20)26-17-18-14-15-22-21(18)16-23(25)27-22/h4-13,18,21-23,25H,14-17H2,1-3H3/t18-,21-,22+,23?/m1/s1
InChIKeyDJMRFVZDZTXPIT-ZYGDZFMBSA-N
XLogP3.70
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.60
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of (3aR,4S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The IUPAC name of (3aR,4S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol (CID 15018447) is (3aR,4S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol.
What is the SMILES notation for (3aR,4S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The canonical SMILES for (3aR,4S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol is CC(C)(C)[Si](OC[C@H]1CC[C@@H]2OC(O)C[C@H]12)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3aR,4S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The InChIKey is DJMRFVZDZTXPIT-ZYGDZFMBSA-N. The full InChI is InChI=1S/C24H32O3Si/c1-24(2,3)28(19-10-6-4-7-11-19,20-12-8-5-9-13-20)26-17-18-14-15-22-21(18)16-23(25)27-22/h4-13,18,21-23,25H,14-17H2,1-3H3/t18-,21-,22+,23?/m1/s1.
What are the key properties of (3aR,4S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
(3aR,4S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol has a molecular weight of 396.60 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol is sourced from PubChem (CID 15018447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).