(4R)-3-[(2R,3S,4E)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-9-methyl-2-(3-methylbut-3-enyl)deca-4,8-dienoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C39H55NO5Si — CID 122226266

IUPAC(4R)-3-[(2R,3S,4E)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-9-methyl-2-(3-methylbut-3-enyl)deca-4,8-dienoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=C(C)CC[C@@H](C(=O)N1C(=O)OC[C@H]1C(C)C)[C@@H](O)/C=C(\CCC=C(C)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C39H55NO5Si/c1-28(2)17-16-18-31(25-36(41)34(24-23-29(3)4)37(42)40-35(30(5)6)27-44-38(40)43)26-45-46(39(7,8)9,32-19-12-10-13-20-32)33-21-14-11-15-22-33/h10-15,17,19-22,25,30,34-36,41H,3,16,18,23-24,26-27H2,1-2,4-9H3/b31-25+/t34-,35+,36+/m1/s1
InChIKeyCIWQXJVNGANTCZ-VXPLJSTGSA-N
MW645.96 g/mol
LogP7.57
Rot. Bonds15

About (4R)-3-[(2R,3S,4E)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-9-methyl-2-(3-methylbut-3-enyl)deca-4,8-dienoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4R)-3-[(2R,3S,4E)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-9-methyl-2-(3-methylbut-3-enyl)deca-4,8-dienoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 122226266) has the molecular formula C39H55NO5Si and a molecular weight of 645.96 g/mol. Its IUPAC name is (4R)-3-[(2R,3S,4E)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-9-methyl-2-(3-methylbut-3-enyl)deca-4,8-dienoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(2R,3S,4E)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-9-methyl-2-(3-methylbut-3-enyl)deca-4,8-dienoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID122226266
Molecular FormulaC39H55NO5Si
Molecular Weight645.96 g/mol
Exact Mass645.38
IUPAC Name(4R)-3-[(2R,3S,4E)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-9-methyl-2-(3-methylbut-3-enyl)deca-4,8-dienoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=C(C)CC[C@@H](C(=O)N1C(=O)OC[C@H]1C(C)C)[C@@H](O)/C=C(\CCC=C(C)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C39H55NO5Si/c1-28(2)17-16-18-31(25-36(41)34(24-23-29(3)4)37(42)40-35(30(5)6)27-44-38(40)43)26-45-46(39(7,8)9,32-19-12-10-13-20-32)33-21-14-11-15-22-33/h10-15,17,19-22,25,30,34-36,41H,3,16,18,23-24,26-27H2,1-2,4-9H3/b31-25+/t34-,35+,36+/m1/s1
InChIKeyCIWQXJVNGANTCZ-VXPLJSTGSA-N
XLogP7.57
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.96
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4R)-3-[(2R,3S,4E)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-9-methyl-2-(3-methylbut-3-enyl)deca-4,8-dienoyl]-4-propan-2-yl-1,3-oxazolidin-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

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2R,3S,4E)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-9-methyl-2-(3-methylbut-3-enyl)deca-4,8-dienoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(2R,3S,4E)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-9-methyl-2-(3-methylbut-3-enyl)deca-4,8-dienoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 122226266) is (4R)-3-[(2R,3S,4E)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-9-methyl-2-(3-methylbut-3-enyl)deca-4,8-dienoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(2R,3S,4E)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-9-methyl-2-(3-methylbut-3-enyl)deca-4,8-dienoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(2R,3S,4E)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-9-methyl-2-(3-methylbut-3-enyl)deca-4,8-dienoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is C=C(C)CC[C@@H](C(=O)N1C(=O)OC[C@H]1C(C)C)[C@@H](O)/C=C(\CCC=C(C)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4R)-3-[(2R,3S,4E)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-9-methyl-2-(3-methylbut-3-enyl)deca-4,8-dienoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is CIWQXJVNGANTCZ-VXPLJSTGSA-N. The full InChI is InChI=1S/C39H55NO5Si/c1-28(2)17-16-18-31(25-36(41)34(24-23-29(3)4)37(42)40-35(30(5)6)27-44-38(40)43)26-45-46(39(7,8)9,32-19-12-10-13-20-32)33-21-14-11-15-22-33/h10-15,17,19-22,25,30,34-36,41H,3,16,18,23-24,26-27H2,1-2,4-9H3/b31-25+/t34-,35+,36+/m1/s1.
What are the key properties of (4R)-3-[(2R,3S,4E)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-9-methyl-2-(3-methylbut-3-enyl)deca-4,8-dienoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4R)-3-[(2R,3S,4E)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-9-methyl-2-(3-methylbut-3-enyl)deca-4,8-dienoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 645.96 g/mol, XLogP of 7.57, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2R,3S,4E)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-9-methyl-2-(3-methylbut-3-enyl)deca-4,8-dienoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 122226266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).