6-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]naphthalene-1,4-dione

C24H32O6Si — CID 102272427

IUPAC6-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]naphthalene-1,4-dione
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]2c1ccc2c(c1)C(=O)C=CC2=O
InChIInChI=1S/C24H32O6Si/c1-23(2,3)31(6,7)27-13-19-21-22(30-24(4,5)29-21)20(28-19)14-8-9-15-16(12-14)18(26)11-10-17(15)25/h8-12,19-22H,13H2,1-7H3/t19-,20-,21-,22+/m1/s1
InChIKeyLHKLFSRXIFXTPV-YSFYHYPLSA-N
MW444.60 g/mol
LogP4.60
Rot. Bonds4

About 6-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]naphthalene-1,4-dione

6-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]naphthalene-1,4-dione (PubChem CID 102272427) has the molecular formula C24H32O6Si and a molecular weight of 444.60 g/mol. Its IUPAC name is 6-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]naphthalene-1,4-dione.

Molecular Properties

Compound Name6-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]naphthalene-1,4-dione
PubChem CID102272427
Molecular FormulaC24H32O6Si
Molecular Weight444.60 g/mol
Exact Mass444.20
IUPAC Name6-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]naphthalene-1,4-dione
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]2c1ccc2c(c1)C(=O)C=CC2=O
InChIInChI=1S/C24H32O6Si/c1-23(2,3)31(6,7)27-13-19-21-22(30-24(4,5)29-21)20(28-19)14-8-9-15-16(12-14)18(26)11-10-17(15)25/h8-12,19-22H,13H2,1-7H3/t19-,20-,21-,22+/m1/s1
InChIKeyLHKLFSRXIFXTPV-YSFYHYPLSA-N
XLogP4.60
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]naphthalene-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]naphthalene-1,4-dione?
The IUPAC name of 6-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]naphthalene-1,4-dione (CID 102272427) is 6-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]naphthalene-1,4-dione.
What is the SMILES notation for 6-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]naphthalene-1,4-dione?
The canonical SMILES for 6-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]naphthalene-1,4-dione is CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]2c1ccc2c(c1)C(=O)C=CC2=O.
What is the InChIKey of 6-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]naphthalene-1,4-dione?
The InChIKey is LHKLFSRXIFXTPV-YSFYHYPLSA-N. The full InChI is InChI=1S/C24H32O6Si/c1-23(2,3)31(6,7)27-13-19-21-22(30-24(4,5)29-21)20(28-19)14-8-9-15-16(12-14)18(26)11-10-17(15)25/h8-12,19-22H,13H2,1-7H3/t19-,20-,21-,22+/m1/s1.
What are the key properties of 6-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]naphthalene-1,4-dione?
6-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]naphthalene-1,4-dione has a molecular weight of 444.60 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]naphthalene-1,4-dione is sourced from PubChem (CID 102272427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).