(2R,3R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-2-methylpentan-3-ol

C30H42O4Si — CID 11329413

IUPAC(2R,3R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-2-methylpentan-3-ol
SMILESC[C@H](CC1CCC2(C=CCCO2)O1)[C@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H42O4Si/c1-24(23-25-17-20-30(34-25)19-11-12-21-32-30)28(31)18-22-33-35(29(2,3)4,26-13-7-5-8-14-26)27-15-9-6-10-16-27/h5-11,13-16,19,24-25,28,31H,12,17-18,20-23H2,1-4H3/t24-,25?,28-,30?/m1/s1
InChIKeyFOURLMSZAABJLY-YUEDQSTCSA-N
MW494.75 g/mol
LogP5.19
Rot. Bonds9

About (2R,3R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-2-methylpentan-3-ol

(2R,3R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-2-methylpentan-3-ol (PubChem CID 11329413) has the molecular formula C30H42O4Si and a molecular weight of 494.75 g/mol. Its IUPAC name is (2R,3R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-2-methylpentan-3-ol.

Molecular Properties

Compound Name(2R,3R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-2-methylpentan-3-ol
PubChem CID11329413
Molecular FormulaC30H42O4Si
Molecular Weight494.75 g/mol
Exact Mass494.29
IUPAC Name(2R,3R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-2-methylpentan-3-ol
SMILESC[C@H](CC1CCC2(C=CCCO2)O1)[C@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H42O4Si/c1-24(23-25-17-20-30(34-25)19-11-12-21-32-30)28(31)18-22-33-35(29(2,3)4,26-13-7-5-8-14-26)27-15-9-6-10-16-27/h5-11,13-16,19,24-25,28,31H,12,17-18,20-23H2,1-4H3/t24-,25?,28-,30?/m1/s1
InChIKeyFOURLMSZAABJLY-YUEDQSTCSA-N
XLogP5.19
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.75
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-2-methylpentan-3-ol?
The IUPAC name of (2R,3R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-2-methylpentan-3-ol (CID 11329413) is (2R,3R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-2-methylpentan-3-ol.
What is the SMILES notation for (2R,3R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-2-methylpentan-3-ol?
The canonical SMILES for (2R,3R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-2-methylpentan-3-ol is C[C@H](CC1CCC2(C=CCCO2)O1)[C@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R,3R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-2-methylpentan-3-ol?
The InChIKey is FOURLMSZAABJLY-YUEDQSTCSA-N. The full InChI is InChI=1S/C30H42O4Si/c1-24(23-25-17-20-30(34-25)19-11-12-21-32-30)28(31)18-22-33-35(29(2,3)4,26-13-7-5-8-14-26)27-15-9-6-10-16-27/h5-11,13-16,19,24-25,28,31H,12,17-18,20-23H2,1-4H3/t24-,25?,28-,30?/m1/s1.
What are the key properties of (2R,3R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-2-methylpentan-3-ol?
(2R,3R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-2-methylpentan-3-ol has a molecular weight of 494.75 g/mol, XLogP of 5.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-2-methylpentan-3-ol is sourced from PubChem (CID 11329413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).