[(2R,3R,4R,6S,8R,9R,10R,11S)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-3,9,11-trimethyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol

C28H58O5Si2 — CID 10962484

About [(2R,3R,4R,6S,8R,9R,10R,11S)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-3,9,11-trimethyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol

[(2R,3R,4R,6S,8R,9R,10R,11S)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-3,9,11-trimethyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol (PubChem CID 10962484) has the molecular formula C28H58O5Si2 and a molecular weight of 530.94 g/mol. Its IUPAC name is [(2R,3R,4R,6S,8R,9R,10R,11S)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-3,9,11-trimethyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol.

Molecular Properties

• Compound Name: [(2R,3R,4R,6S,8R,9R,10R,11S)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-3,9,11-trimethyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol
• PubChem CID: 10962484
• Molecular Formula: C28H58O5Si2
• Molecular Weight: 530.94 g/mol
• Exact Mass: 530.38
• IUPAC Name: [(2R,3R,4R,6S,8R,9R,10R,11S)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-3,9,11-trimethyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol
• SMILES: CC(C)[C@H]1O[C@@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C)O[C@@H](CO)[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2C
• InChI: InChI=1S/C28H58O5Si2/c1-18(2)24-19(3)22(32-34(12,13)26(6,7)8)16-28(31-24)21(5)25(20(4)23(17-29)30-28)33-35(14,15)27(9,10)11/h18-25,29H,16-17H2,1-15H3/t19-,20+,21-,22+,23-,24+,25+,28+/m0/s1
• InChIKey: DHPOEKICPWLZSK-JUHAIKHESA-N
• XLogP: 7.21
• TPSA: 57.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.94
LogP ≤ 5	7.21
H-Bond Donors ≤ 5	1
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 [(2R,3R,4R,6S,8R,9R,10R,11S)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-3,9,11-trimethyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol?

The IUPAC name of [(2R,3R,4R,6S,8R,9R,10R,11S)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-3,9,11-trimethyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol (CID 10962484) is [(2R,3R,4R,6S,8R,9R,10R,11S)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-3,9,11-trimethyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol.

What is the SMILES notation for [(2R,3R,4R,6S,8R,9R,10R,11S)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-3,9,11-trimethyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol?

The canonical SMILES for [(2R,3R,4R,6S,8R,9R,10R,11S)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-3,9,11-trimethyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol is CC(C)[C@H]1O[C@@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C)O[C@@H](CO)[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2C.

What is the InChIKey of [(2R,3R,4R,6S,8R,9R,10R,11S)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-3,9,11-trimethyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol?

The InChIKey is DHPOEKICPWLZSK-JUHAIKHESA-N. The full InChI is InChI=1S/C28H58O5Si2/c1-18(2)24-19(3)22(32-34(12,13)26(6,7)8)16-28(31-24)21(5)25(20(4)23(17-29)30-28)33-35(14,15)27(9,10)11/h18-25,29H,16-17H2,1-15H3/t19-,20+,21-,22+,23-,24+,25+,28+/m0/s1.

What are the key properties of [(2R,3R,4R,6S,8R,9R,10R,11S)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-3,9,11-trimethyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol?

[(2R,3R,4R,6S,8R,9R,10R,11S)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-3,9,11-trimethyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol has a molecular weight of 530.94 g/mol, XLogP of 7.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4R,6S,8R,9R,10R,11S)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-3,9,11-trimethyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol is sourced from PubChem (CID 10962484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).