(3Z,3aS,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2-methylpropan-2-yl)oxy]ethylidene]-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one

C19H34O4Si — CID 5470162

IUPAC(3Z,3aS,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2-methylpropan-2-yl)oxy]ethylidene]-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one
SMILESCC(C)(C)OC/C=C1\C(=O)O[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]12
InChIInChI=1S/C19H34O4Si/c1-18(2,3)21-10-9-14-15-11-13(12-16(15)22-17(14)20)23-24(7,8)19(4,5)6/h9,13,15-16H,10-12H2,1-8H3/b14-9-/t13-,15-,16-/m0/s1
InChIKeyGICILCBPXYSVHO-XGIGGAPPSA-N
MW354.56 g/mol
LogP4.45
Rot. Bonds4

About (3Z,3aS,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2-methylpropan-2-yl)oxy]ethylidene]-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one

(3Z,3aS,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2-methylpropan-2-yl)oxy]ethylidene]-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one (PubChem CID 5470162) has the molecular formula C19H34O4Si and a molecular weight of 354.56 g/mol. Its IUPAC name is (3Z,3aS,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2-methylpropan-2-yl)oxy]ethylidene]-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3Z,3aS,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2-methylpropan-2-yl)oxy]ethylidene]-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one
PubChem CID5470162
Molecular FormulaC19H34O4Si
Molecular Weight354.56 g/mol
Exact Mass354.22
IUPAC Name(3Z,3aS,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2-methylpropan-2-yl)oxy]ethylidene]-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one
SMILESCC(C)(C)OC/C=C1\C(=O)O[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]12
InChIInChI=1S/C19H34O4Si/c1-18(2,3)21-10-9-14-15-11-13(12-16(15)22-17(14)20)23-24(7,8)19(4,5)6/h9,13,15-16H,10-12H2,1-8H3/b14-9-/t13-,15-,16-/m0/s1
InChIKeyGICILCBPXYSVHO-XGIGGAPPSA-N
XLogP4.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.56
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,3aS,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2-methylpropan-2-yl)oxy]ethylidene]-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one?
The IUPAC name of (3Z,3aS,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2-methylpropan-2-yl)oxy]ethylidene]-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one (CID 5470162) is (3Z,3aS,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2-methylpropan-2-yl)oxy]ethylidene]-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one.
What is the SMILES notation for (3Z,3aS,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2-methylpropan-2-yl)oxy]ethylidene]-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one?
The canonical SMILES for (3Z,3aS,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2-methylpropan-2-yl)oxy]ethylidene]-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one is CC(C)(C)OC/C=C1\C(=O)O[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]12.
What is the InChIKey of (3Z,3aS,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2-methylpropan-2-yl)oxy]ethylidene]-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one?
The InChIKey is GICILCBPXYSVHO-XGIGGAPPSA-N. The full InChI is InChI=1S/C19H34O4Si/c1-18(2,3)21-10-9-14-15-11-13(12-16(15)22-17(14)20)23-24(7,8)19(4,5)6/h9,13,15-16H,10-12H2,1-8H3/b14-9-/t13-,15-,16-/m0/s1.
What are the key properties of (3Z,3aS,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2-methylpropan-2-yl)oxy]ethylidene]-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one?
(3Z,3aS,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2-methylpropan-2-yl)oxy]ethylidene]-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one has a molecular weight of 354.56 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,3aS,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2-methylpropan-2-yl)oxy]ethylidene]-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one is sourced from PubChem (CID 5470162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).