(5R,6R)-6-methyl-4-trimethylsilyloxy-5-tri(propan-2-yl)silyloxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]furan-1,3-dione

C22H40O5Si2 — CID 101189112

IUPAC(5R,6R)-6-methyl-4-trimethylsilyloxy-5-tri(propan-2-yl)silyloxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]furan-1,3-dione
SMILESCC(C)[Si](O[C@H]1C(O[Si](C)(C)C)C2=C(CC[C@H]1C)C(=O)OC2=O)(C(C)C)C(C)C
InChIInChI=1S/C22H40O5Si2/c1-13(2)29(14(3)4,15(5)6)27-19-16(7)11-12-17-18(22(24)25-21(17)23)20(19)26-28(8,9)10/h13-16,19-20H,11-12H2,1-10H3/t16-,19-,20?/m1/s1
InChIKeyQVNIHOPNFPQIBO-YPMWCJOZSA-N
MW440.73 g/mol
LogP5.58
Rot. Bonds7

About (5R,6R)-6-methyl-4-trimethylsilyloxy-5-tri(propan-2-yl)silyloxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]furan-1,3-dione

(5R,6R)-6-methyl-4-trimethylsilyloxy-5-tri(propan-2-yl)silyloxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]furan-1,3-dione (PubChem CID 101189112) has the molecular formula C22H40O5Si2 and a molecular weight of 440.73 g/mol. Its IUPAC name is (5R,6R)-6-methyl-4-trimethylsilyloxy-5-tri(propan-2-yl)silyloxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]furan-1,3-dione.

Molecular Properties

Compound Name(5R,6R)-6-methyl-4-trimethylsilyloxy-5-tri(propan-2-yl)silyloxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]furan-1,3-dione
PubChem CID101189112
Molecular FormulaC22H40O5Si2
Molecular Weight440.73 g/mol
Exact Mass440.24
IUPAC Name(5R,6R)-6-methyl-4-trimethylsilyloxy-5-tri(propan-2-yl)silyloxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]furan-1,3-dione
SMILESCC(C)[Si](O[C@H]1C(O[Si](C)(C)C)C2=C(CC[C@H]1C)C(=O)OC2=O)(C(C)C)C(C)C
InChIInChI=1S/C22H40O5Si2/c1-13(2)29(14(3)4,15(5)6)27-19-16(7)11-12-17-18(22(24)25-21(17)23)20(19)26-28(8,9)10/h13-16,19-20H,11-12H2,1-10H3/t16-,19-,20?/m1/s1
InChIKeyQVNIHOPNFPQIBO-YPMWCJOZSA-N
XLogP5.58
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.73
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R,6R)-6-methyl-4-trimethylsilyloxy-5-tri(propan-2-yl)silyloxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]furan-1,3-dione?
The IUPAC name of (5R,6R)-6-methyl-4-trimethylsilyloxy-5-tri(propan-2-yl)silyloxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]furan-1,3-dione (CID 101189112) is (5R,6R)-6-methyl-4-trimethylsilyloxy-5-tri(propan-2-yl)silyloxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]furan-1,3-dione.
What is the SMILES notation for (5R,6R)-6-methyl-4-trimethylsilyloxy-5-tri(propan-2-yl)silyloxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]furan-1,3-dione?
The canonical SMILES for (5R,6R)-6-methyl-4-trimethylsilyloxy-5-tri(propan-2-yl)silyloxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]furan-1,3-dione is CC(C)[Si](O[C@H]1C(O[Si](C)(C)C)C2=C(CC[C@H]1C)C(=O)OC2=O)(C(C)C)C(C)C.
What is the InChIKey of (5R,6R)-6-methyl-4-trimethylsilyloxy-5-tri(propan-2-yl)silyloxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]furan-1,3-dione?
The InChIKey is QVNIHOPNFPQIBO-YPMWCJOZSA-N. The full InChI is InChI=1S/C22H40O5Si2/c1-13(2)29(14(3)4,15(5)6)27-19-16(7)11-12-17-18(22(24)25-21(17)23)20(19)26-28(8,9)10/h13-16,19-20H,11-12H2,1-10H3/t16-,19-,20?/m1/s1.
What are the key properties of (5R,6R)-6-methyl-4-trimethylsilyloxy-5-tri(propan-2-yl)silyloxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]furan-1,3-dione?
(5R,6R)-6-methyl-4-trimethylsilyloxy-5-tri(propan-2-yl)silyloxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]furan-1,3-dione has a molecular weight of 440.73 g/mol, XLogP of 5.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-6-methyl-4-trimethylsilyloxy-5-tri(propan-2-yl)silyloxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]furan-1,3-dione is sourced from PubChem (CID 101189112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).