tert-butyl-[(Z,4S,5R,6R,7R)-5,7-dimethyl-11-(oxan-2-yloxy)-4-triethylsilyloxyundec-9-en-1-yn-6-yl]oxy-dimethylsilane

C30H58O4Si2 — CID 24756315

IUPACtert-butyl-[(Z,4S,5R,6R,7R)-5,7-dimethyl-11-(oxan-2-yloxy)-4-triethylsilyloxyundec-9-en-1-yn-6-yl]oxy-dimethylsilane
SMILESC#CC[C@H](O[Si](CC)(CC)CC)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C/C=C\COC1CCCCO1
InChIInChI=1S/C30H58O4Si2/c1-12-20-27(33-36(13-2,14-3)15-4)26(6)29(34-35(10,11)30(7,8)9)25(5)21-16-18-23-31-28-22-17-19-24-32-28/h1,16,18,25-29H,13-15,17,19-24H2,2-11H3/b18-16-/t25-,26-,27+,28?,29-/m1/s1
InChIKeyCFGZJQAYPRHZCO-UGNZTZPJSA-N
MW538.96 g/mol
LogP8.55
Rot. Bonds16

About tert-butyl-[(Z,4S,5R,6R,7R)-5,7-dimethyl-11-(oxan-2-yloxy)-4-triethylsilyloxyundec-9-en-1-yn-6-yl]oxy-dimethylsilane

tert-butyl-[(Z,4S,5R,6R,7R)-5,7-dimethyl-11-(oxan-2-yloxy)-4-triethylsilyloxyundec-9-en-1-yn-6-yl]oxy-dimethylsilane (PubChem CID 24756315) has the molecular formula C30H58O4Si2 and a molecular weight of 538.96 g/mol. Its IUPAC name is tert-butyl-[(Z,4S,5R,6R,7R)-5,7-dimethyl-11-(oxan-2-yloxy)-4-triethylsilyloxyundec-9-en-1-yn-6-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z,4S,5R,6R,7R)-5,7-dimethyl-11-(oxan-2-yloxy)-4-triethylsilyloxyundec-9-en-1-yn-6-yl]oxy-dimethylsilane
PubChem CID24756315
Molecular FormulaC30H58O4Si2
Molecular Weight538.96 g/mol
Exact Mass538.39
IUPAC Nametert-butyl-[(Z,4S,5R,6R,7R)-5,7-dimethyl-11-(oxan-2-yloxy)-4-triethylsilyloxyundec-9-en-1-yn-6-yl]oxy-dimethylsilane
SMILESC#CC[C@H](O[Si](CC)(CC)CC)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C/C=C\COC1CCCCO1
InChIInChI=1S/C30H58O4Si2/c1-12-20-27(33-36(13-2,14-3)15-4)26(6)29(34-35(10,11)30(7,8)9)25(5)21-16-18-23-31-28-22-17-19-24-32-28/h1,16,18,25-29H,13-15,17,19-24H2,2-11H3/b18-16-/t25-,26-,27+,28?,29-/m1/s1
InChIKeyCFGZJQAYPRHZCO-UGNZTZPJSA-N
XLogP8.55
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.96
LogP ≤ 58.55
H-Bond Donors ≤ 50
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'}

Analyze tert-butyl-[(Z,4S,5R,6R,7R)-5,7-dimethyl-11-(oxan-2-yloxy)-4-triethylsilyloxyundec-9-en-1-yn-6-yl]oxy-dimethylsilane 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

2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
2-(2-methylpent-4-ynoxy)oxane
CID 143125735
2-[(E)-hept-2-en-6-ynoxy]oxane
CID 14728076
(2R)-2-[(E)-pent-2-en-4-ynoxy]oxane
CID 95562312
2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
CID 14026777
2-[(E)-hept-2-enoxy]oxane
CID 12861157
2-[(E)-undec-2-en-5-ynoxy]oxane
CID 134976144
CID 11598906
CID 11598906
(3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-3-triethylsilyloxydec-9-en-1-ol
CID 52912234
7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-yn-4-ol
CID 54406454
(2R)-2-[(E)-5-bromopent-2-enoxy]oxane
CID 125476035
2-[(E)-5-iodopent-2-enoxy]oxane
CID 12871483

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z,4S,5R,6R,7R)-5,7-dimethyl-11-(oxan-2-yloxy)-4-triethylsilyloxyundec-9-en-1-yn-6-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(Z,4S,5R,6R,7R)-5,7-dimethyl-11-(oxan-2-yloxy)-4-triethylsilyloxyundec-9-en-1-yn-6-yl]oxy-dimethylsilane (CID 24756315) is tert-butyl-[(Z,4S,5R,6R,7R)-5,7-dimethyl-11-(oxan-2-yloxy)-4-triethylsilyloxyundec-9-en-1-yn-6-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z,4S,5R,6R,7R)-5,7-dimethyl-11-(oxan-2-yloxy)-4-triethylsilyloxyundec-9-en-1-yn-6-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z,4S,5R,6R,7R)-5,7-dimethyl-11-(oxan-2-yloxy)-4-triethylsilyloxyundec-9-en-1-yn-6-yl]oxy-dimethylsilane is C#CC[C@H](O[Si](CC)(CC)CC)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C/C=C\COC1CCCCO1.
What is the InChIKey of tert-butyl-[(Z,4S,5R,6R,7R)-5,7-dimethyl-11-(oxan-2-yloxy)-4-triethylsilyloxyundec-9-en-1-yn-6-yl]oxy-dimethylsilane?
The InChIKey is CFGZJQAYPRHZCO-UGNZTZPJSA-N. The full InChI is InChI=1S/C30H58O4Si2/c1-12-20-27(33-36(13-2,14-3)15-4)26(6)29(34-35(10,11)30(7,8)9)25(5)21-16-18-23-31-28-22-17-19-24-32-28/h1,16,18,25-29H,13-15,17,19-24H2,2-11H3/b18-16-/t25-,26-,27+,28?,29-/m1/s1.
What are the key properties of tert-butyl-[(Z,4S,5R,6R,7R)-5,7-dimethyl-11-(oxan-2-yloxy)-4-triethylsilyloxyundec-9-en-1-yn-6-yl]oxy-dimethylsilane?
tert-butyl-[(Z,4S,5R,6R,7R)-5,7-dimethyl-11-(oxan-2-yloxy)-4-triethylsilyloxyundec-9-en-1-yn-6-yl]oxy-dimethylsilane has a molecular weight of 538.96 g/mol, XLogP of 8.55, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z,4S,5R,6R,7R)-5,7-dimethyl-11-(oxan-2-yloxy)-4-triethylsilyloxyundec-9-en-1-yn-6-yl]oxy-dimethylsilane is sourced from PubChem (CID 24756315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).