ethyl (2Z,4S,5R,6S,7Z,10S,11R,12R,13S,14S,15Z)-5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-carbamoyloxy-2,4,6,8,10,12,14-heptamethyloctadeca-2,7,15,17-tetraenoate

C40H75NO6Si2 — CID 89359759

IUPACethyl (2Z,4S,5R,6S,7Z,10S,11R,12R,13S,14S,15Z)-5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-carbamoyloxy-2,4,6,8,10,12,14-heptamethyloctadeca-2,7,15,17-tetraenoate
SMILESC=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C(/C)C(=O)OCC
InChIInChI=1S/C40H75NO6Si2/c1-20-22-23-28(4)35(45-38(41)43)33(9)36(47-49(18,19)40(13,14)15)30(6)25-27(3)24-29(5)34(46-48(16,17)39(10,11)12)31(7)26-32(8)37(42)44-21-2/h20,22-24,26,28-31,33-36H,1,21,25H2,2-19H3,(H2,41,43)/b23-22-,27-24-,32-26-/t28-,29-,30-,31-,33+,34+,35-,36+/m0/s1
InChIKeyJMSFCQGERFQDHA-JSGMDAIESA-N
MW722.21 g/mol
LogP11.00
Rot. Bonds19

About ethyl (2Z,4S,5R,6S,7Z,10S,11R,12R,13S,14S,15Z)-5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-carbamoyloxy-2,4,6,8,10,12,14-heptamethyloctadeca-2,7,15,17-tetraenoate

ethyl (2Z,4S,5R,6S,7Z,10S,11R,12R,13S,14S,15Z)-5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-carbamoyloxy-2,4,6,8,10,12,14-heptamethyloctadeca-2,7,15,17-tetraenoate (PubChem CID 89359759) has the molecular formula C40H75NO6Si2 and a molecular weight of 722.21 g/mol. Its IUPAC name is ethyl (2Z,4S,5R,6S,7Z,10S,11R,12R,13S,14S,15Z)-5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-carbamoyloxy-2,4,6,8,10,12,14-heptamethyloctadeca-2,7,15,17-tetraenoate.

Molecular Properties

Compound Nameethyl (2Z,4S,5R,6S,7Z,10S,11R,12R,13S,14S,15Z)-5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-carbamoyloxy-2,4,6,8,10,12,14-heptamethyloctadeca-2,7,15,17-tetraenoate
PubChem CID89359759
Molecular FormulaC40H75NO6Si2
Molecular Weight722.21 g/mol
Exact Mass721.51
IUPAC Nameethyl (2Z,4S,5R,6S,7Z,10S,11R,12R,13S,14S,15Z)-5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-carbamoyloxy-2,4,6,8,10,12,14-heptamethyloctadeca-2,7,15,17-tetraenoate
SMILESC=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C(/C)C(=O)OCC
InChIInChI=1S/C40H75NO6Si2/c1-20-22-23-28(4)35(45-38(41)43)33(9)36(47-49(18,19)40(13,14)15)30(6)25-27(3)24-29(5)34(46-48(16,17)39(10,11)12)31(7)26-32(8)37(42)44-21-2/h20,22-24,26,28-31,33-36H,1,21,25H2,2-19H3,(H2,41,43)/b23-22-,27-24-,32-26-/t28-,29-,30-,31-,33+,34+,35-,36+/m0/s1
InChIKeyJMSFCQGERFQDHA-JSGMDAIESA-N
XLogP11.00
TPSA97.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.21
LogP ≤ 511.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethyl (2Z,4S,5R,6S,7Z,10S,11R,12R,13S,14S,15Z)-5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-carbamoyloxy-2,4,6,8,10,12,14-heptamethyloctadeca-2,7,15,17-tetraenoate 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 ethyl (2Z,4S,5R,6S,7Z,10S,11R,12R,13S,14S,15Z)-5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-carbamoyloxy-2,4,6,8,10,12,14-heptamethyloctadeca-2,7,15,17-tetraenoate?
The IUPAC name of ethyl (2Z,4S,5R,6S,7Z,10S,11R,12R,13S,14S,15Z)-5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-carbamoyloxy-2,4,6,8,10,12,14-heptamethyloctadeca-2,7,15,17-tetraenoate (CID 89359759) is ethyl (2Z,4S,5R,6S,7Z,10S,11R,12R,13S,14S,15Z)-5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-carbamoyloxy-2,4,6,8,10,12,14-heptamethyloctadeca-2,7,15,17-tetraenoate.
What is the SMILES notation for ethyl (2Z,4S,5R,6S,7Z,10S,11R,12R,13S,14S,15Z)-5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-carbamoyloxy-2,4,6,8,10,12,14-heptamethyloctadeca-2,7,15,17-tetraenoate?
The canonical SMILES for ethyl (2Z,4S,5R,6S,7Z,10S,11R,12R,13S,14S,15Z)-5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-carbamoyloxy-2,4,6,8,10,12,14-heptamethyloctadeca-2,7,15,17-tetraenoate is C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C(/C)C(=O)OCC.
What is the InChIKey of ethyl (2Z,4S,5R,6S,7Z,10S,11R,12R,13S,14S,15Z)-5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-carbamoyloxy-2,4,6,8,10,12,14-heptamethyloctadeca-2,7,15,17-tetraenoate?
The InChIKey is JMSFCQGERFQDHA-JSGMDAIESA-N. The full InChI is InChI=1S/C40H75NO6Si2/c1-20-22-23-28(4)35(45-38(41)43)33(9)36(47-49(18,19)40(13,14)15)30(6)25-27(3)24-29(5)34(46-48(16,17)39(10,11)12)31(7)26-32(8)37(42)44-21-2/h20,22-24,26,28-31,33-36H,1,21,25H2,2-19H3,(H2,41,43)/b23-22-,27-24-,32-26-/t28-,29-,30-,31-,33+,34+,35-,36+/m0/s1.
What are the key properties of ethyl (2Z,4S,5R,6S,7Z,10S,11R,12R,13S,14S,15Z)-5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-carbamoyloxy-2,4,6,8,10,12,14-heptamethyloctadeca-2,7,15,17-tetraenoate?
ethyl (2Z,4S,5R,6S,7Z,10S,11R,12R,13S,14S,15Z)-5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-carbamoyloxy-2,4,6,8,10,12,14-heptamethyloctadeca-2,7,15,17-tetraenoate has a molecular weight of 722.21 g/mol, XLogP of 11.00, 19 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z,4S,5R,6S,7Z,10S,11R,12R,13S,14S,15Z)-5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-carbamoyloxy-2,4,6,8,10,12,14-heptamethyloctadeca-2,7,15,17-tetraenoate is sourced from PubChem (CID 89359759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).