(4S,5S)-5-[(4aS,8aR)-5,5,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-2-yl]-4-propan-2-yl-4-trimethylsilyloxyoxolan-2-one

C23H38O4Si — CID 10597492

About (4S,5S)-5-[(4aS,8aR)-5,5,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-2-yl]-4-propan-2-yl-4-trimethylsilyloxyoxolan-2-one

(4S,5S)-5-[(4aS,8aR)-5,5,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-2-yl]-4-propan-2-yl-4-trimethylsilyloxyoxolan-2-one (PubChem CID 10597492) has the molecular formula C23H38O4Si and a molecular weight of 406.64 g/mol. Its IUPAC name is (4S,5S)-5-[(4aS,8aR)-5,5,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-2-yl]-4-propan-2-yl-4-trimethylsilyloxyoxolan-2-one.

Molecular Properties

• Compound Name: (4S,5S)-5-[(4aS,8aR)-5,5,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-2-yl]-4-propan-2-yl-4-trimethylsilyloxyoxolan-2-one
• PubChem CID: 10597492
• Molecular Formula: C23H38O4Si
• Molecular Weight: 406.64 g/mol
• Exact Mass: 406.25
• IUPAC Name: (4S,5S)-5-[(4aS,8aR)-5,5,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-2-yl]-4-propan-2-yl-4-trimethylsilyloxyoxolan-2-one
• SMILES: CC(C)[C@@]1(O[Si](C)(C)C)CC(=O)O[C@H]1C1=C[C@@]2(C)CCCC(C)(C)[C@@H]2CC1=O
• InChI: InChI=1S/C23H38O4Si/c1-15(2)23(27-28(6,7)8)14-19(25)26-20(23)16-13-22(5)11-9-10-21(3,4)18(22)12-17(16)24/h13,15,18,20H,9-12,14H2,1-8H3/t18-,20-,22+,23-/m0/s1
• InChIKey: ITUIQUGVPXDKSC-MHADKKCISA-N
• XLogP: 5.28
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.64
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-[(4aS,8aR)-5,5,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-2-yl]-4-propan-2-yl-4-trimethylsilyloxyoxolan-2-one?

The IUPAC name of (4S,5S)-5-[(4aS,8aR)-5,5,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-2-yl]-4-propan-2-yl-4-trimethylsilyloxyoxolan-2-one (CID 10597492) is (4S,5S)-5-[(4aS,8aR)-5,5,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-2-yl]-4-propan-2-yl-4-trimethylsilyloxyoxolan-2-one.

What is the SMILES notation for (4S,5S)-5-[(4aS,8aR)-5,5,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-2-yl]-4-propan-2-yl-4-trimethylsilyloxyoxolan-2-one?

The canonical SMILES for (4S,5S)-5-[(4aS,8aR)-5,5,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-2-yl]-4-propan-2-yl-4-trimethylsilyloxyoxolan-2-one is CC(C)[C@@]1(O[Si](C)(C)C)CC(=O)O[C@H]1C1=C[C@@]2(C)CCCC(C)(C)[C@@H]2CC1=O.

What is the InChIKey of (4S,5S)-5-[(4aS,8aR)-5,5,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-2-yl]-4-propan-2-yl-4-trimethylsilyloxyoxolan-2-one?

The InChIKey is ITUIQUGVPXDKSC-MHADKKCISA-N. The full InChI is InChI=1S/C23H38O4Si/c1-15(2)23(27-28(6,7)8)14-19(25)26-20(23)16-13-22(5)11-9-10-21(3,4)18(22)12-17(16)24/h13,15,18,20H,9-12,14H2,1-8H3/t18-,20-,22+,23-/m0/s1.

What are the key properties of (4S,5S)-5-[(4aS,8aR)-5,5,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-2-yl]-4-propan-2-yl-4-trimethylsilyloxyoxolan-2-one?

(4S,5S)-5-[(4aS,8aR)-5,5,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-2-yl]-4-propan-2-yl-4-trimethylsilyloxyoxolan-2-one has a molecular weight of 406.64 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,5S)-5-[(4aS,8aR)-5,5,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-2-yl]-4-propan-2-yl-4-trimethylsilyloxyoxolan-2-one is sourced from PubChem (CID 10597492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).