[(5S,6S,7R,8R,9S,13S,14S,15S)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-phenoxyoctadeca-1,3,11,16-tetraen-6-yl] carbamate

C43H75NO5Si2 — CID 91611529

IUPAC[(5S,6S,7R,8R,9S,13S,14S,15S)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-phenoxyoctadeca-1,3,11,16-tetraen-6-yl] carbamate
SMILESC=CC=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)CC(C)=C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=CCOc1ccccc1
InChIInChI=1S/C43H75NO5Si2/c1-18-19-24-33(4)39(47-41(44)45)36(7)40(49-51(16,17)43(11,12)13)35(6)30-31(2)29-34(5)38(48-50(14,15)42(8,9)10)32(3)25-23-28-46-37-26-21-20-22-27-37/h18-27,29,32-36,38-40H,1,28,30H2,2-17H3,(H2,44,45)/t32-,33-,34-,35-,36+,38-,39-,40+/m0/s1
InChIKeyUEQWXUDDGXFYKP-LCGUVFSPSA-N
MW742.25 g/mol
LogP12.13
Rot. Bonds20

About [(5S,6S,7R,8R,9S,13S,14S,15S)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-phenoxyoctadeca-1,3,11,16-tetraen-6-yl] carbamate

[(5S,6S,7R,8R,9S,13S,14S,15S)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-phenoxyoctadeca-1,3,11,16-tetraen-6-yl] carbamate (PubChem CID 91611529) has the molecular formula C43H75NO5Si2 and a molecular weight of 742.25 g/mol. Its IUPAC name is [(5S,6S,7R,8R,9S,13S,14S,15S)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-phenoxyoctadeca-1,3,11,16-tetraen-6-yl] carbamate.

Molecular Properties

Compound Name[(5S,6S,7R,8R,9S,13S,14S,15S)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-phenoxyoctadeca-1,3,11,16-tetraen-6-yl] carbamate
PubChem CID91611529
Molecular FormulaC43H75NO5Si2
Molecular Weight742.25 g/mol
Exact Mass741.52
IUPAC Name[(5S,6S,7R,8R,9S,13S,14S,15S)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-phenoxyoctadeca-1,3,11,16-tetraen-6-yl] carbamate
SMILESC=CC=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)CC(C)=C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=CCOc1ccccc1
InChIInChI=1S/C43H75NO5Si2/c1-18-19-24-33(4)39(47-41(44)45)36(7)40(49-51(16,17)43(11,12)13)35(6)30-31(2)29-34(5)38(48-50(14,15)42(8,9)10)32(3)25-23-28-46-37-26-21-20-22-27-37/h18-27,29,32-36,38-40H,1,28,30H2,2-17H3,(H2,44,45)/t32-,33-,34-,35-,36+,38-,39-,40+/m0/s1
InChIKeyUEQWXUDDGXFYKP-LCGUVFSPSA-N
XLogP12.13
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.25
LogP ≤ 512.13
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [(5S,6S,7R,8R,9S,13S,14S,15S)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-phenoxyoctadeca-1,3,11,16-tetraen-6-yl] carbamate 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 [(5S,6S,7R,8R,9S,13S,14S,15S)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-phenoxyoctadeca-1,3,11,16-tetraen-6-yl] carbamate?
The IUPAC name of [(5S,6S,7R,8R,9S,13S,14S,15S)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-phenoxyoctadeca-1,3,11,16-tetraen-6-yl] carbamate (CID 91611529) is [(5S,6S,7R,8R,9S,13S,14S,15S)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-phenoxyoctadeca-1,3,11,16-tetraen-6-yl] carbamate.
What is the SMILES notation for [(5S,6S,7R,8R,9S,13S,14S,15S)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-phenoxyoctadeca-1,3,11,16-tetraen-6-yl] carbamate?
The canonical SMILES for [(5S,6S,7R,8R,9S,13S,14S,15S)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-phenoxyoctadeca-1,3,11,16-tetraen-6-yl] carbamate is C=CC=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)CC(C)=C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=CCOc1ccccc1.
What is the InChIKey of [(5S,6S,7R,8R,9S,13S,14S,15S)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-phenoxyoctadeca-1,3,11,16-tetraen-6-yl] carbamate?
The InChIKey is UEQWXUDDGXFYKP-LCGUVFSPSA-N. The full InChI is InChI=1S/C43H75NO5Si2/c1-18-19-24-33(4)39(47-41(44)45)36(7)40(49-51(16,17)43(11,12)13)35(6)30-31(2)29-34(5)38(48-50(14,15)42(8,9)10)32(3)25-23-28-46-37-26-21-20-22-27-37/h18-27,29,32-36,38-40H,1,28,30H2,2-17H3,(H2,44,45)/t32-,33-,34-,35-,36+,38-,39-,40+/m0/s1.
What are the key properties of [(5S,6S,7R,8R,9S,13S,14S,15S)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-phenoxyoctadeca-1,3,11,16-tetraen-6-yl] carbamate?
[(5S,6S,7R,8R,9S,13S,14S,15S)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-phenoxyoctadeca-1,3,11,16-tetraen-6-yl] carbamate has a molecular weight of 742.25 g/mol, XLogP of 12.13, 20 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S,6S,7R,8R,9S,13S,14S,15S)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-phenoxyoctadeca-1,3,11,16-tetraen-6-yl] carbamate is sourced from PubChem (CID 91611529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).