(4R,5R)-4-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one

C38H58O4Si — CID 11180998

IUPAC(4R,5R)-4-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@@H]1OC(=O)C[C@H]1CCCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C38H58O4Si/c1-29(2)34-25-24-30(3)27-35(34)41-37-31(28-36(39)42-37)19-13-9-7-8-10-18-26-40-43(38(4,5)6,32-20-14-11-15-21-32)33-22-16-12-17-23-33/h11-12,14-17,20-23,29-31,34-35,37H,7-10,13,18-19,24-28H2,1-6H3/t30-,31-,34+,35-,37-/m1/s1
InChIKeyRJNAHYDCURWBMO-RRNWTFPCSA-N
MW606.96 g/mol
LogP8.66
Rot. Bonds15

About (4R,5R)-4-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one

(4R,5R)-4-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one (PubChem CID 11180998) has the molecular formula C38H58O4Si and a molecular weight of 606.96 g/mol. Its IUPAC name is (4R,5R)-4-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-4-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one
PubChem CID11180998
Molecular FormulaC38H58O4Si
Molecular Weight606.96 g/mol
Exact Mass606.41
IUPAC Name(4R,5R)-4-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@@H]1OC(=O)C[C@H]1CCCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C38H58O4Si/c1-29(2)34-25-24-30(3)27-35(34)41-37-31(28-36(39)42-37)19-13-9-7-8-10-18-26-40-43(38(4,5)6,32-20-14-11-15-21-32)33-22-16-12-17-23-33/h11-12,14-17,20-23,29-31,34-35,37H,7-10,13,18-19,24-28H2,1-6H3/t30-,31-,34+,35-,37-/m1/s1
InChIKeyRJNAHYDCURWBMO-RRNWTFPCSA-N
XLogP8.66
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.96
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R,5R)-4-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

(3R,5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-phenylselanyloxolan-2-one
CID 57382026
(5R)-5-[(2R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhexan-2-yl]-3-phenylselanyloxolan-2-one
CID 134872652
3-[3-[Tert-butyl(diphenyl)silyl]oxypropyl]-4-(methoxymethoxy)-6-(methoxymethoxymethyl)-1,4,5,6,7,7a-hexahydroindene-3a-carbaldehyde
CID 134944912
2-[(7aR)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(methoxymethoxy)-6-(methoxymethoxymethyl)-1,4,5,6,7,7a-hexahydroinden-3a-yl]acetaldehyde
CID 135019605
2-[(7aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(methoxymethoxy)-1,4,5,6,7,7a-hexahydroinden-3a-yl]acetaldehyde
CID 135019610
[(4S,5S)-9,9-dimethoxy-4-methylnon-1-en-5-yl] 4-[tert-butyl(diphenyl)silyl]oxybutanoate
CID 135074849
(3S,3aS,7aR)-3-methyl-3-[methyl(diphenyl)silyl]-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-one
CID 139053750
(3R,5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-phenylselanyloxolan-2-one
CID 139092226
(7S,8S)-7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-8-methyl-1,6-dioxaspiro[4.4]nonan-2-one
CID 11247632
methyl (1S,3R,4R,5S)-3-acetyloxy-5-[tert-butyl(diphenyl)silyl]oxy-4-methylcyclohexane-1-carboxylate
CID 11518413
Methyl 3-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate
CID 21082795
Tert-butyl 4-[3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2,2-dimethylbutanoate
CID 21082808

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one?
The IUPAC name of (4R,5R)-4-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one (CID 11180998) is (4R,5R)-4-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one.
What is the SMILES notation for (4R,5R)-4-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one?
The canonical SMILES for (4R,5R)-4-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@@H]1OC(=O)C[C@H]1CCCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4R,5R)-4-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one?
The InChIKey is RJNAHYDCURWBMO-RRNWTFPCSA-N. The full InChI is InChI=1S/C38H58O4Si/c1-29(2)34-25-24-30(3)27-35(34)41-37-31(28-36(39)42-37)19-13-9-7-8-10-18-26-40-43(38(4,5)6,32-20-14-11-15-21-32)33-22-16-12-17-23-33/h11-12,14-17,20-23,29-31,34-35,37H,7-10,13,18-19,24-28H2,1-6H3/t30-,31-,34+,35-,37-/m1/s1.
What are the key properties of (4R,5R)-4-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one?
(4R,5R)-4-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one has a molecular weight of 606.96 g/mol, XLogP of 8.66, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one is sourced from PubChem (CID 11180998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).