(2S,6R,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4R,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]-2,6,10-trimethylundecan-4-one

C34H70O5Si2 — CID 11072176

About (2S,6R,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4R,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]-2,6,10-trimethylundecan-4-one

(2S,6R,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4R,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]-2,6,10-trimethylundecan-4-one (PubChem CID 11072176) has the molecular formula C34H70O5Si2 and a molecular weight of 615.10 g/mol. Its IUPAC name is (2S,6R,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4R,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]-2,6,10-trimethylundecan-4-one.

Molecular Properties

• Compound Name: (2S,6R,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4R,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]-2,6,10-trimethylundecan-4-one
• PubChem CID: 11072176
• Molecular Formula: C34H70O5Si2
• Molecular Weight: 615.10 g/mol
• Exact Mass: 614.48
• IUPAC Name: (2S,6R,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4R,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]-2,6,10-trimethylundecan-4-one
• SMILES: CC(C)[C@H]1OC(C)(C)O[C@@H]1C[C@H](C)CC(=O)C[C@H](C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(C)C
• InChI: InChI=1S/C34H70O5Si2/c1-23(2)30-28(36-34(13,14)37-30)21-25(5)19-27(35)20-26(6)22-29(38-40(15,16)32(7,8)9)31(24(3)4)39-41(17,18)33(10,11)12/h23-26,28-31H,19-22H2,1-18H3/t25-,26+,28-,29-,30-,31-/m1/s1
• InChIKey: XBRSSAPAKLFCDW-YJVJFABRSA-N
• XLogP: 10.00
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.10
LogP ≤ 5	10.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,6R,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4R,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]-2,6,10-trimethylundecan-4-one?

The IUPAC name of (2S,6R,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4R,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]-2,6,10-trimethylundecan-4-one (CID 11072176) is (2S,6R,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4R,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]-2,6,10-trimethylundecan-4-one.

What is the SMILES notation for (2S,6R,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4R,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]-2,6,10-trimethylundecan-4-one?

The canonical SMILES for (2S,6R,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4R,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]-2,6,10-trimethylundecan-4-one is CC(C)[C@H]1OC(C)(C)O[C@@H]1C[C@H](C)CC(=O)C[C@H](C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(C)C.

What is the InChIKey of (2S,6R,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4R,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]-2,6,10-trimethylundecan-4-one?

The InChIKey is XBRSSAPAKLFCDW-YJVJFABRSA-N. The full InChI is InChI=1S/C34H70O5Si2/c1-23(2)30-28(36-34(13,14)37-30)21-25(5)19-27(35)20-26(6)22-29(38-40(15,16)32(7,8)9)31(24(3)4)39-41(17,18)33(10,11)12/h23-26,28-31H,19-22H2,1-18H3/t25-,26+,28-,29-,30-,31-/m1/s1.

What are the key properties of (2S,6R,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4R,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]-2,6,10-trimethylundecan-4-one?

(2S,6R,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4R,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]-2,6,10-trimethylundecan-4-one has a molecular weight of 615.10 g/mol, XLogP of 10.00, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,6R,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4R,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]-2,6,10-trimethylundecan-4-one is sourced from PubChem (CID 11072176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).