(3aR,4R)-6-methoxy-2,2-dimethyl-3'-trimethylsilylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one

C14H24O5Si — CID 164935284

IUPAC(3aR,4R)-6-methoxy-2,2-dimethyl-3'-trimethylsilylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one
SMILESCOC1O[C@@]2(C(=O)CC2[Si](C)(C)C)[C@@H]2OC(C)(C)OC12
InChIInChI=1S/C14H24O5Si/c1-13(2)17-10-11(18-13)14(19-12(10)16-3)8(15)7-9(14)20(4,5)6/h9-12H,7H2,1-6H3/t9?,10?,11-,12?,14-/m1/s1
InChIKeyBUSLQCNIAVDSTM-JRVLLPLTSA-N
MW300.43 g/mol
LogP1.93
Rot. Bonds2

About (3aR,4R)-6-methoxy-2,2-dimethyl-3'-trimethylsilylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one

(3aR,4R)-6-methoxy-2,2-dimethyl-3'-trimethylsilylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one (PubChem CID 164935284) has the molecular formula C14H24O5Si and a molecular weight of 300.43 g/mol. Its IUPAC name is (3aR,4R)-6-methoxy-2,2-dimethyl-3'-trimethylsilylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one.

Molecular Properties

Compound Name(3aR,4R)-6-methoxy-2,2-dimethyl-3'-trimethylsilylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one
PubChem CID164935284
Molecular FormulaC14H24O5Si
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name(3aR,4R)-6-methoxy-2,2-dimethyl-3'-trimethylsilylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one
SMILESCOC1O[C@@]2(C(=O)CC2[Si](C)(C)C)[C@@H]2OC(C)(C)OC12
InChIInChI=1S/C14H24O5Si/c1-13(2)17-10-11(18-13)14(19-12(10)16-3)8(15)7-9(14)20(4,5)6/h9-12H,7H2,1-6H3/t9?,10?,11-,12?,14-/m1/s1
InChIKeyBUSLQCNIAVDSTM-JRVLLPLTSA-N
XLogP1.93
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3aR,4R)-6-methoxy-2,2-dimethyl-3'-trimethylsilylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one with MolForge

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Related Compounds

1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-trimethylsilylpropane-1,3-dione
CID 135072092
(3a'S,6'R,6a'R)-6'-Methoxy-2',2'-dimethyldihydro-6'H-spiro[cyclobutane-1,4'-furo[3,4-d][1,3]dioxol]-3-one
CID 138741922
(4S)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one
CID 155407410
(4R)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one
CID 155407411
(3aS,4S,6R,6aR)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one
CID 155407498
(3aS,4R,6R,6aR)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one
CID 155407503
(4R)-6-methoxy-3'-methylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one
CID 155407565
(3aS,6R,6aR)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one
CID 155737472
(3aR,4S)-6-methoxy-2,2-dimethyl-3'-[(2-methylpropan-2-yl)oxy]spiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one
CID 164935043
(3aR,4R)-6-methoxy-2,2-dimethyl-3'-[(2-methylpropan-2-yl)oxy]spiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one
CID 164935060
(3aR,4S)-6-methoxy-2,2-dimethyl-3'-trimethylsilylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one
CID 164935069
(3aR,4R)-6-methoxy-2,2-dimethyl-4'-trimethylsilylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one
CID 164935077

Frequently Asked Questions

What is the IUPAC name of (3aR,4R)-6-methoxy-2,2-dimethyl-3'-trimethylsilylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one?
The IUPAC name of (3aR,4R)-6-methoxy-2,2-dimethyl-3'-trimethylsilylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one (CID 164935284) is (3aR,4R)-6-methoxy-2,2-dimethyl-3'-trimethylsilylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one.
What is the SMILES notation for (3aR,4R)-6-methoxy-2,2-dimethyl-3'-trimethylsilylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one?
The canonical SMILES for (3aR,4R)-6-methoxy-2,2-dimethyl-3'-trimethylsilylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one is COC1O[C@@]2(C(=O)CC2[Si](C)(C)C)[C@@H]2OC(C)(C)OC12.
What is the InChIKey of (3aR,4R)-6-methoxy-2,2-dimethyl-3'-trimethylsilylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one?
The InChIKey is BUSLQCNIAVDSTM-JRVLLPLTSA-N. The full InChI is InChI=1S/C14H24O5Si/c1-13(2)17-10-11(18-13)14(19-12(10)16-3)8(15)7-9(14)20(4,5)6/h9-12H,7H2,1-6H3/t9?,10?,11-,12?,14-/m1/s1.
What are the key properties of (3aR,4R)-6-methoxy-2,2-dimethyl-3'-trimethylsilylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one?
(3aR,4R)-6-methoxy-2,2-dimethyl-3'-trimethylsilylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one has a molecular weight of 300.43 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R)-6-methoxy-2,2-dimethyl-3'-trimethylsilylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one is sourced from PubChem (CID 164935284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).