(5R,6R,8Z,11E)-6-[tert-butyl(diphenyl)silyl]oxy-1-(oxan-2-yloxy)tetradeca-8,11-dien-2-yn-5-ol

C35H48O4Si — CID 10578799

IUPAC(5R,6R,8Z,11E)-6-[tert-butyl(diphenyl)silyl]oxy-1-(oxan-2-yloxy)tetradeca-8,11-dien-2-yn-5-ol
SMILESCC/C=C/C/C=C\C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](O)CC#CCOC1CCCCO1
InChIInChI=1S/C35H48O4Si/c1-5-6-7-8-9-16-26-33(32(36)25-17-19-28-37-34-27-18-20-29-38-34)39-40(35(2,3)4,30-21-12-10-13-22-30)31-23-14-11-15-24-31/h6-7,9-16,21-24,32-34,36H,5,8,18,20,25-29H2,1-4H3/b7-6+,16-9-/t32-,33-,34?/m1/s1
InChIKeyAADBGAYZFFSKMS-JFCHTZSXSA-N
MW560.85 g/mol
LogP6.53
Rot. Bonds13

About (5R,6R,8Z,11E)-6-[tert-butyl(diphenyl)silyl]oxy-1-(oxan-2-yloxy)tetradeca-8,11-dien-2-yn-5-ol

(5R,6R,8Z,11E)-6-[tert-butyl(diphenyl)silyl]oxy-1-(oxan-2-yloxy)tetradeca-8,11-dien-2-yn-5-ol (PubChem CID 10578799) has the molecular formula C35H48O4Si and a molecular weight of 560.85 g/mol. Its IUPAC name is (5R,6R,8Z,11E)-6-[tert-butyl(diphenyl)silyl]oxy-1-(oxan-2-yloxy)tetradeca-8,11-dien-2-yn-5-ol.

Molecular Properties

Compound Name(5R,6R,8Z,11E)-6-[tert-butyl(diphenyl)silyl]oxy-1-(oxan-2-yloxy)tetradeca-8,11-dien-2-yn-5-ol
PubChem CID10578799
Molecular FormulaC35H48O4Si
Molecular Weight560.85 g/mol
Exact Mass560.33
IUPAC Name(5R,6R,8Z,11E)-6-[tert-butyl(diphenyl)silyl]oxy-1-(oxan-2-yloxy)tetradeca-8,11-dien-2-yn-5-ol
SMILESCC/C=C/C/C=C\C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](O)CC#CCOC1CCCCO1
InChIInChI=1S/C35H48O4Si/c1-5-6-7-8-9-16-26-33(32(36)25-17-19-28-37-34-27-18-20-29-38-34)39-40(35(2,3)4,30-21-12-10-13-22-30)31-23-14-11-15-24-31/h6-7,9-16,21-24,32-34,36H,5,8,18,20,25-29H2,1-4H3/b7-6+,16-9-/t32-,33-,34?/m1/s1
InChIKeyAADBGAYZFFSKMS-JFCHTZSXSA-N
XLogP6.53
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.85
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R,6R,8Z,11E)-6-[tert-butyl(diphenyl)silyl]oxy-1-(oxan-2-yloxy)tetradeca-8,11-dien-2-yn-5-ol?
The IUPAC name of (5R,6R,8Z,11E)-6-[tert-butyl(diphenyl)silyl]oxy-1-(oxan-2-yloxy)tetradeca-8,11-dien-2-yn-5-ol (CID 10578799) is (5R,6R,8Z,11E)-6-[tert-butyl(diphenyl)silyl]oxy-1-(oxan-2-yloxy)tetradeca-8,11-dien-2-yn-5-ol.
What is the SMILES notation for (5R,6R,8Z,11E)-6-[tert-butyl(diphenyl)silyl]oxy-1-(oxan-2-yloxy)tetradeca-8,11-dien-2-yn-5-ol?
The canonical SMILES for (5R,6R,8Z,11E)-6-[tert-butyl(diphenyl)silyl]oxy-1-(oxan-2-yloxy)tetradeca-8,11-dien-2-yn-5-ol is CC/C=C/C/C=C\C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](O)CC#CCOC1CCCCO1.
What is the InChIKey of (5R,6R,8Z,11E)-6-[tert-butyl(diphenyl)silyl]oxy-1-(oxan-2-yloxy)tetradeca-8,11-dien-2-yn-5-ol?
The InChIKey is AADBGAYZFFSKMS-JFCHTZSXSA-N. The full InChI is InChI=1S/C35H48O4Si/c1-5-6-7-8-9-16-26-33(32(36)25-17-19-28-37-34-27-18-20-29-38-34)39-40(35(2,3)4,30-21-12-10-13-22-30)31-23-14-11-15-24-31/h6-7,9-16,21-24,32-34,36H,5,8,18,20,25-29H2,1-4H3/b7-6+,16-9-/t32-,33-,34?/m1/s1.
What are the key properties of (5R,6R,8Z,11E)-6-[tert-butyl(diphenyl)silyl]oxy-1-(oxan-2-yloxy)tetradeca-8,11-dien-2-yn-5-ol?
(5R,6R,8Z,11E)-6-[tert-butyl(diphenyl)silyl]oxy-1-(oxan-2-yloxy)tetradeca-8,11-dien-2-yn-5-ol has a molecular weight of 560.85 g/mol, XLogP of 6.53, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,8Z,11E)-6-[tert-butyl(diphenyl)silyl]oxy-1-(oxan-2-yloxy)tetradeca-8,11-dien-2-yn-5-ol is sourced from PubChem (CID 10578799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).