[(1R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]hexan-3-yl] hex-5-enoate

C36H52O5Si — CID 11541653

IUPAC[(1R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]hexan-3-yl] hex-5-enoate
SMILESC=CCCCC(=O)O[C@H](CCC)C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C36H52O5Si/c1-6-8-12-24-34(37)39-29(19-7-2)27-32(33-28-38-36(40-33)25-17-11-18-26-36)41-42(35(3,4)5,30-20-13-9-14-21-30)31-22-15-10-16-23-31/h6,9-10,13-16,20-23,29,32-33H,1,7-8,11-12,17-19,24-28H2,2-5H3/t29-,32-,33-/m1/s1
InChIKeyYSEBBZDRSYLEBW-KTCJXSDQSA-N
MW592.89 g/mol
LogP7.47
Rot. Bonds14

About [(1R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]hexan-3-yl] hex-5-enoate

[(1R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]hexan-3-yl] hex-5-enoate (PubChem CID 11541653) has the molecular formula C36H52O5Si and a molecular weight of 592.89 g/mol. Its IUPAC name is [(1R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]hexan-3-yl] hex-5-enoate.

Molecular Properties

Compound Name[(1R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]hexan-3-yl] hex-5-enoate
PubChem CID11541653
Molecular FormulaC36H52O5Si
Molecular Weight592.89 g/mol
Exact Mass592.36
IUPAC Name[(1R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]hexan-3-yl] hex-5-enoate
SMILESC=CCCCC(=O)O[C@H](CCC)C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C36H52O5Si/c1-6-8-12-24-34(37)39-29(19-7-2)27-32(33-28-38-36(40-33)25-17-11-18-26-36)41-42(35(3,4)5,30-20-13-9-14-21-30)31-22-15-10-16-23-31/h6,9-10,13-16,20-23,29,32-33H,1,7-8,11-12,17-19,24-28H2,2-5H3/t29-,32-,33-/m1/s1
InChIKeyYSEBBZDRSYLEBW-KTCJXSDQSA-N
XLogP7.47
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.89
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(1R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]hexan-3-yl] hex-5-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]hexan-3-yl] hex-5-enoate?
The IUPAC name of [(1R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]hexan-3-yl] hex-5-enoate (CID 11541653) is [(1R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]hexan-3-yl] hex-5-enoate.
What is the SMILES notation for [(1R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]hexan-3-yl] hex-5-enoate?
The canonical SMILES for [(1R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]hexan-3-yl] hex-5-enoate is C=CCCCC(=O)O[C@H](CCC)C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1COC2(CCCCC2)O1.
What is the InChIKey of [(1R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]hexan-3-yl] hex-5-enoate?
The InChIKey is YSEBBZDRSYLEBW-KTCJXSDQSA-N. The full InChI is InChI=1S/C36H52O5Si/c1-6-8-12-24-34(37)39-29(19-7-2)27-32(33-28-38-36(40-33)25-17-11-18-26-36)41-42(35(3,4)5,30-20-13-9-14-21-30)31-22-15-10-16-23-31/h6,9-10,13-16,20-23,29,32-33H,1,7-8,11-12,17-19,24-28H2,2-5H3/t29-,32-,33-/m1/s1.
What are the key properties of [(1R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]hexan-3-yl] hex-5-enoate?
[(1R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]hexan-3-yl] hex-5-enoate has a molecular weight of 592.89 g/mol, XLogP of 7.47, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]hexan-3-yl] hex-5-enoate is sourced from PubChem (CID 11541653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).