(6R,8S,12R,14S,16S)-6,8,12,14-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-10-tri(propan-2-yl)silyloxynonadeca-1,18-diene-4,16-diol

C52H112O7Si5 — CID 134970720

IUPAC(6R,8S,12R,14S,16S)-6,8,12,14-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-10-tri(propan-2-yl)silyloxynonadeca-1,18-diene-4,16-diol
SMILESC=CCC(O)C[C@H](C[C@H](CC(C[C@H](C[C@H](C[C@@H](O)CC=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C52H112O7Si5/c1-29-31-42(53)33-44(55-60(21,22)49(9,10)11)35-46(57-62(25,26)51(15,16)17)37-48(59-64(39(3)4,40(5)6)41(7)8)38-47(58-63(27,28)52(18,19)20)36-45(34-43(54)32-30-2)56-61(23,24)50(12,13)14/h29-30,39-48,53-54H,1-2,31-38H2,3-28H3/t42-,43?,44-,45+,46-,47+,48?/m0/s1
InChIKeyYPMCNMSXWMRHDF-XHQPXSMSSA-N
MW989.89 g/mol
LogP16.32
Rot. Bonds29

About (6R,8S,12R,14S,16S)-6,8,12,14-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-10-tri(propan-2-yl)silyloxynonadeca-1,18-diene-4,16-diol

(6R,8S,12R,14S,16S)-6,8,12,14-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-10-tri(propan-2-yl)silyloxynonadeca-1,18-diene-4,16-diol (PubChem CID 134970720) has the molecular formula C52H112O7Si5 and a molecular weight of 989.89 g/mol. Its IUPAC name is (6R,8S,12R,14S,16S)-6,8,12,14-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-10-tri(propan-2-yl)silyloxynonadeca-1,18-diene-4,16-diol.

Molecular Properties

Compound Name(6R,8S,12R,14S,16S)-6,8,12,14-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-10-tri(propan-2-yl)silyloxynonadeca-1,18-diene-4,16-diol
PubChem CID134970720
Molecular FormulaC52H112O7Si5
Molecular Weight989.89 g/mol
Exact Mass988.73
IUPAC Name(6R,8S,12R,14S,16S)-6,8,12,14-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-10-tri(propan-2-yl)silyloxynonadeca-1,18-diene-4,16-diol
SMILESC=CCC(O)C[C@H](C[C@H](CC(C[C@H](C[C@H](C[C@@H](O)CC=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C52H112O7Si5/c1-29-31-42(53)33-44(55-60(21,22)49(9,10)11)35-46(57-62(25,26)51(15,16)17)37-48(59-64(39(3)4,40(5)6)41(7)8)38-47(58-63(27,28)52(18,19)20)36-45(34-43(54)32-30-2)56-61(23,24)50(12,13)14/h29-30,39-48,53-54H,1-2,31-38H2,3-28H3/t42-,43?,44-,45+,46-,47+,48?/m0/s1
InChIKeyYPMCNMSXWMRHDF-XHQPXSMSSA-N
XLogP16.32
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds29
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.89
LogP ≤ 516.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (6R,8S,12R,14S,16S)-6,8,12,14-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-10-tri(propan-2-yl)silyloxynonadeca-1,18-diene-4,16-diol 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

(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxypentadec-1-en-5-ol
CID 134831056
(E,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol
CID 11468178
(4S,8S)-6-[tert-butyl(dimethyl)silyl]oxyundeca-1,10-diene-4,8-diol
CID 16059317
(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxydec-9-ene-1,3-diol
CID 16119966
(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyundec-1-en-4-ol
CID 44478239
(4S,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-en-4-ol
CID 45113734
tert-butyl-[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxynonadec-1-en-6-yl]oxy-dimethylsilane
CID 46180567
(4R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-en-4-ol
CID 46186047
(3R,4S,6R)-3,4-bis[tri(propan-2-yl)silyloxy]tridec-1-en-6-ol
CID 56594145
(4S,6S)-4-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-ol
CID 134836990
(3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]dodec-1-en-5-ol
CID 134842206
[(3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]dodec-1-en-5-yl]oxidanium
CID 134842332

Frequently Asked Questions

What is the IUPAC name of (6R,8S,12R,14S,16S)-6,8,12,14-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-10-tri(propan-2-yl)silyloxynonadeca-1,18-diene-4,16-diol?
The IUPAC name of (6R,8S,12R,14S,16S)-6,8,12,14-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-10-tri(propan-2-yl)silyloxynonadeca-1,18-diene-4,16-diol (CID 134970720) is (6R,8S,12R,14S,16S)-6,8,12,14-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-10-tri(propan-2-yl)silyloxynonadeca-1,18-diene-4,16-diol.
What is the SMILES notation for (6R,8S,12R,14S,16S)-6,8,12,14-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-10-tri(propan-2-yl)silyloxynonadeca-1,18-diene-4,16-diol?
The canonical SMILES for (6R,8S,12R,14S,16S)-6,8,12,14-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-10-tri(propan-2-yl)silyloxynonadeca-1,18-diene-4,16-diol is C=CCC(O)C[C@H](C[C@H](CC(C[C@H](C[C@H](C[C@@H](O)CC=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (6R,8S,12R,14S,16S)-6,8,12,14-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-10-tri(propan-2-yl)silyloxynonadeca-1,18-diene-4,16-diol?
The InChIKey is YPMCNMSXWMRHDF-XHQPXSMSSA-N. The full InChI is InChI=1S/C52H112O7Si5/c1-29-31-42(53)33-44(55-60(21,22)49(9,10)11)35-46(57-62(25,26)51(15,16)17)37-48(59-64(39(3)4,40(5)6)41(7)8)38-47(58-63(27,28)52(18,19)20)36-45(34-43(54)32-30-2)56-61(23,24)50(12,13)14/h29-30,39-48,53-54H,1-2,31-38H2,3-28H3/t42-,43?,44-,45+,46-,47+,48?/m0/s1.
What are the key properties of (6R,8S,12R,14S,16S)-6,8,12,14-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-10-tri(propan-2-yl)silyloxynonadeca-1,18-diene-4,16-diol?
(6R,8S,12R,14S,16S)-6,8,12,14-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-10-tri(propan-2-yl)silyloxynonadeca-1,18-diene-4,16-diol has a molecular weight of 989.89 g/mol, XLogP of 16.32, 29 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8S,12R,14S,16S)-6,8,12,14-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-10-tri(propan-2-yl)silyloxynonadeca-1,18-diene-4,16-diol is sourced from PubChem (CID 134970720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).