(3R,4S,5Z,8S,9R,10R,11S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13-diene-1,11-diol

C34H70O4Si2 — CID 89359710

IUPAC(3R,4S,5Z,8S,9R,10R,11S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13-diene-1,11-diol
SMILESCC/C=C\C(C)[C@H](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(C)CO
InChIInChI=1S/C34H70O4Si2/c1-18-19-20-25(3)30(36)29(7)32(38-40(16,17)34(11,12)13)27(5)22-24(2)21-26(4)31(28(6)23-35)37-39(14,15)33(8,9)10/h19-21,25-32,35-36H,18,22-23H2,1-17H3/b20-19-,24-21-/t25?,26-,27-,28?,29+,30-,31+,32+/m0/s1
InChIKeyGAEWUGGDUHEUKX-UNHXBVCZSA-N
MW599.10 g/mol
LogP9.60
Rot. Bonds16

About (3R,4S,5Z,8S,9R,10R,11S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13-diene-1,11-diol

(3R,4S,5Z,8S,9R,10R,11S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13-diene-1,11-diol (PubChem CID 89359710) has the molecular formula C34H70O4Si2 and a molecular weight of 599.10 g/mol. Its IUPAC name is (3R,4S,5Z,8S,9R,10R,11S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13-diene-1,11-diol.

Molecular Properties

Compound Name(3R,4S,5Z,8S,9R,10R,11S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13-diene-1,11-diol
PubChem CID89359710
Molecular FormulaC34H70O4Si2
Molecular Weight599.10 g/mol
Exact Mass598.48
IUPAC Name(3R,4S,5Z,8S,9R,10R,11S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13-diene-1,11-diol
SMILESCC/C=C\C(C)[C@H](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(C)CO
InChIInChI=1S/C34H70O4Si2/c1-18-19-20-25(3)30(36)29(7)32(38-40(16,17)34(11,12)13)27(5)22-24(2)21-26(4)31(28(6)23-35)37-39(14,15)33(8,9)10/h19-21,25-32,35-36H,18,22-23H2,1-17H3/b20-19-,24-21-/t25?,26-,27-,28?,29+,30-,31+,32+/m0/s1
InChIKeyGAEWUGGDUHEUKX-UNHXBVCZSA-N
XLogP9.60
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.10
LogP ≤ 59.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R,4S,5Z,8S,9R,10R,11S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13-diene-1,11-diol 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 (3R,4S,5Z,8S,9R,10R,11S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13-diene-1,11-diol?
The IUPAC name of (3R,4S,5Z,8S,9R,10R,11S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13-diene-1,11-diol (CID 89359710) is (3R,4S,5Z,8S,9R,10R,11S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13-diene-1,11-diol.
What is the SMILES notation for (3R,4S,5Z,8S,9R,10R,11S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13-diene-1,11-diol?
The canonical SMILES for (3R,4S,5Z,8S,9R,10R,11S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13-diene-1,11-diol is CC/C=C\C(C)[C@H](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(C)CO.
What is the InChIKey of (3R,4S,5Z,8S,9R,10R,11S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13-diene-1,11-diol?
The InChIKey is GAEWUGGDUHEUKX-UNHXBVCZSA-N. The full InChI is InChI=1S/C34H70O4Si2/c1-18-19-20-25(3)30(36)29(7)32(38-40(16,17)34(11,12)13)27(5)22-24(2)21-26(4)31(28(6)23-35)37-39(14,15)33(8,9)10/h19-21,25-32,35-36H,18,22-23H2,1-17H3/b20-19-,24-21-/t25?,26-,27-,28?,29+,30-,31+,32+/m0/s1.
What are the key properties of (3R,4S,5Z,8S,9R,10R,11S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13-diene-1,11-diol?
(3R,4S,5Z,8S,9R,10R,11S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13-diene-1,11-diol has a molecular weight of 599.10 g/mol, XLogP of 9.60, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5Z,8S,9R,10R,11S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13-diene-1,11-diol is sourced from PubChem (CID 89359710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).