(3aR,4S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one

C23H28O4Si — CID 18397579

IUPAC(3aR,4S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
SMILESCC(C)(C)[Si](OC[C@H]1OC[C@@H]2OC(=O)C[C@@H]21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H28O4Si/c1-23(2,3)28(17-10-6-4-7-11-17,18-12-8-5-9-13-18)26-16-20-19-14-22(24)27-21(19)15-25-20/h4-13,19-21H,14-16H2,1-3H3/t19-,20-,21+/m1/s1
InChIKeyCTIVEMGKKMBHGO-NJYVYQBISA-N
MW396.56 g/mol
LogP2.89
Rot. Bonds5

About (3aR,4S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one

(3aR,4S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one (PubChem CID 18397579) has the molecular formula C23H28O4Si and a molecular weight of 396.56 g/mol. Its IUPAC name is (3aR,4S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one.

Molecular Properties

Compound Name(3aR,4S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
PubChem CID18397579
Molecular FormulaC23H28O4Si
Molecular Weight396.56 g/mol
Exact Mass396.18
IUPAC Name(3aR,4S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
SMILESCC(C)(C)[Si](OC[C@H]1OC[C@@H]2OC(=O)C[C@@H]21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H28O4Si/c1-23(2,3)28(17-10-6-4-7-11-17,18-12-8-5-9-13-18)26-16-20-19-14-22(24)27-21(19)15-25-20/h4-13,19-21H,14-16H2,1-3H3/t19-,20-,21+/m1/s1
InChIKeyCTIVEMGKKMBHGO-NJYVYQBISA-N
XLogP2.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3aR,4S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,4S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one?
The IUPAC name of (3aR,4S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one (CID 18397579) is (3aR,4S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one.
What is the SMILES notation for (3aR,4S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one?
The canonical SMILES for (3aR,4S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one is CC(C)(C)[Si](OC[C@H]1OC[C@@H]2OC(=O)C[C@@H]21)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3aR,4S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one?
The InChIKey is CTIVEMGKKMBHGO-NJYVYQBISA-N. The full InChI is InChI=1S/C23H28O4Si/c1-23(2,3)28(17-10-6-4-7-11-17,18-12-8-5-9-13-18)26-16-20-19-14-22(24)27-21(19)15-25-20/h4-13,19-21H,14-16H2,1-3H3/t19-,20-,21+/m1/s1.
What are the key properties of (3aR,4S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one?
(3aR,4S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one has a molecular weight of 396.56 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one is sourced from PubChem (CID 18397579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).