(2R,5R,7R,9R,10S)-7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methyl-9-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-10-ol

C36H58O5Si2 — CID 11585378

IUPAC(2R,5R,7R,9R,10S)-7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methyl-9-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-10-ol
SMILESCC(C)[Si](O[C@@H]1C[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@]2(CC[C@@H](C)O2)[C@H]1O)(C(C)C)C(C)C
InChIInChI=1S/C36H58O5Si2/c1-26(2)42(27(3)4,28(5)6)41-33-25-30(40-36(34(33)37)23-21-29(7)39-36)22-24-38-43(35(8,9)10,31-17-13-11-14-18-31)32-19-15-12-16-20-32/h11-20,26-30,33-34,37H,21-25H2,1-10H3/t29-,30-,33-,34+,36-/m1/s1
InChIKeyQBBPERRYKHHPSS-AFECENHSSA-N
MW627.03 g/mol
LogP7.56
Rot. Bonds11

About (2R,5R,7R,9R,10S)-7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methyl-9-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-10-ol

(2R,5R,7R,9R,10S)-7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methyl-9-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-10-ol (PubChem CID 11585378) has the molecular formula C36H58O5Si2 and a molecular weight of 627.03 g/mol. Its IUPAC name is (2R,5R,7R,9R,10S)-7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methyl-9-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-10-ol.

Molecular Properties

Compound Name(2R,5R,7R,9R,10S)-7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methyl-9-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-10-ol
PubChem CID11585378
Molecular FormulaC36H58O5Si2
Molecular Weight627.03 g/mol
Exact Mass626.38
IUPAC Name(2R,5R,7R,9R,10S)-7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methyl-9-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-10-ol
SMILESCC(C)[Si](O[C@@H]1C[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@]2(CC[C@@H](C)O2)[C@H]1O)(C(C)C)C(C)C
InChIInChI=1S/C36H58O5Si2/c1-26(2)42(27(3)4,28(5)6)41-33-25-30(40-36(34(33)37)23-21-29(7)39-36)22-24-38-43(35(8,9)10,31-17-13-11-14-18-31)32-19-15-12-16-20-32/h11-20,26-30,33-34,37H,21-25H2,1-10H3/t29-,30-,33-,34+,36-/m1/s1
InChIKeyQBBPERRYKHHPSS-AFECENHSSA-N
XLogP7.56
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.03
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,5R,7R,9R,10S)-7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methyl-9-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-10-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,5R,7R,9R,10S)-7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methyl-9-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-10-ol?
The IUPAC name of (2R,5R,7R,9R,10S)-7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methyl-9-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-10-ol (CID 11585378) is (2R,5R,7R,9R,10S)-7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methyl-9-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-10-ol.
What is the SMILES notation for (2R,5R,7R,9R,10S)-7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methyl-9-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-10-ol?
The canonical SMILES for (2R,5R,7R,9R,10S)-7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methyl-9-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-10-ol is CC(C)[Si](O[C@@H]1C[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@]2(CC[C@@H](C)O2)[C@H]1O)(C(C)C)C(C)C.
What is the InChIKey of (2R,5R,7R,9R,10S)-7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methyl-9-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-10-ol?
The InChIKey is QBBPERRYKHHPSS-AFECENHSSA-N. The full InChI is InChI=1S/C36H58O5Si2/c1-26(2)42(27(3)4,28(5)6)41-33-25-30(40-36(34(33)37)23-21-29(7)39-36)22-24-38-43(35(8,9)10,31-17-13-11-14-18-31)32-19-15-12-16-20-32/h11-20,26-30,33-34,37H,21-25H2,1-10H3/t29-,30-,33-,34+,36-/m1/s1.
What are the key properties of (2R,5R,7R,9R,10S)-7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methyl-9-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-10-ol?
(2R,5R,7R,9R,10S)-7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methyl-9-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-10-ol has a molecular weight of 627.03 g/mol, XLogP of 7.56, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R,7R,9R,10S)-7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methyl-9-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-10-ol is sourced from PubChem (CID 11585378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).