(2R)-2-[(2R,3S,4R,6S)-6-(1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl)-3-hydroxy-4-methyl-5-oxoheptan-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-one

C31H54O7Si — CID 134942532

About (2R)-2-[(2R,3S,4R,6S)-6-(1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl)-3-hydroxy-4-methyl-5-oxoheptan-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-one

(2R)-2-[(2R,3S,4R,6S)-6-(1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl)-3-hydroxy-4-methyl-5-oxoheptan-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-one (PubChem CID 134942532) has the molecular formula C31H54O7Si and a molecular weight of 566.85 g/mol. Its IUPAC name is (2R)-2-[(2R,3S,4R,6S)-6-(1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl)-3-hydroxy-4-methyl-5-oxoheptan-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-one.

Molecular Properties

• Compound Name: (2R)-2-[(2R,3S,4R,6S)-6-(1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl)-3-hydroxy-4-methyl-5-oxoheptan-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-one
• PubChem CID: 134942532
• Molecular Formula: C31H54O7Si
• Molecular Weight: 566.85 g/mol
• Exact Mass: 566.36
• IUPAC Name: (2R)-2-[(2R,3S,4R,6S)-6-(1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl)-3-hydroxy-4-methyl-5-oxoheptan-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-one
• SMILES: CC1C2CCC(C)(O2)OC1[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@H]1CC=C(CO[Si](C(C)C)(C(C)C)C(C)C)C(=O)O1
• InChI: InChI=1S/C31H54O7Si/c1-17(2)39(18(3)4,19(5)6)35-16-24-12-13-25(36-30(24)34)20(7)27(32)22(9)28(33)23(10)29-21(8)26-14-15-31(11,37-26)38-29/h12,17-23,25-27,29,32H,13-16H2,1-11H3/t20-,21?,22+,23+,25+,26?,27-,29?,31?/m0/s1
• InChIKey: QYYDMVQFQPDDLR-VWQVCFDDSA-N
• XLogP: 6.19
• TPSA: 91.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.85
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,3S,4R,6S)-6-(1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl)-3-hydroxy-4-methyl-5-oxoheptan-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-one?

The IUPAC name of (2R)-2-[(2R,3S,4R,6S)-6-(1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl)-3-hydroxy-4-methyl-5-oxoheptan-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-one (CID 134942532) is (2R)-2-[(2R,3S,4R,6S)-6-(1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl)-3-hydroxy-4-methyl-5-oxoheptan-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-one.

What is the SMILES notation for (2R)-2-[(2R,3S,4R,6S)-6-(1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl)-3-hydroxy-4-methyl-5-oxoheptan-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-one?

The canonical SMILES for (2R)-2-[(2R,3S,4R,6S)-6-(1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl)-3-hydroxy-4-methyl-5-oxoheptan-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-one is CC1C2CCC(C)(O2)OC1[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@H]1CC=C(CO[Si](C(C)C)(C(C)C)C(C)C)C(=O)O1.

What is the InChIKey of (2R)-2-[(2R,3S,4R,6S)-6-(1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl)-3-hydroxy-4-methyl-5-oxoheptan-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-one?

The InChIKey is QYYDMVQFQPDDLR-VWQVCFDDSA-N. The full InChI is InChI=1S/C31H54O7Si/c1-17(2)39(18(3)4,19(5)6)35-16-24-12-13-25(36-30(24)34)20(7)27(32)22(9)28(33)23(10)29-21(8)26-14-15-31(11,37-26)38-29/h12,17-23,25-27,29,32H,13-16H2,1-11H3/t20-,21?,22+,23+,25+,26?,27-,29?,31?/m0/s1.

What are the key properties of (2R)-2-[(2R,3S,4R,6S)-6-(1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl)-3-hydroxy-4-methyl-5-oxoheptan-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-one?

(2R)-2-[(2R,3S,4R,6S)-6-(1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl)-3-hydroxy-4-methyl-5-oxoheptan-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-one has a molecular weight of 566.85 g/mol, XLogP of 6.19, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(2R,3S,4R,6S)-6-(1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl)-3-hydroxy-4-methyl-5-oxoheptan-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 134942532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).