tert-butyl-[(11R)-henicosa-6,9-diyn-11-yl]oxy-dimethylsilane

C27H50OSi — CID 71377830

IUPACtert-butyl-[(11R)-henicosa-6,9-diyn-11-yl]oxy-dimethylsilane
SMILESCCCCCC#CCC#C[C@@H](CCCCCCCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H50OSi/c1-8-10-12-14-16-18-20-22-24-26(28-29(6,7)27(3,4)5)25-23-21-19-17-15-13-11-9-2/h26H,8-16,18,20-22,24H2,1-7H3/t26-/m1/s1
InChIKeyVXOKOLJBNUBNFB-AREMUKBSSA-N
MW418.78 g/mol
LogP8.88
Rot. Bonds14

About tert-butyl-[(11R)-henicosa-6,9-diyn-11-yl]oxy-dimethylsilane

tert-butyl-[(11R)-henicosa-6,9-diyn-11-yl]oxy-dimethylsilane (PubChem CID 71377830) has the molecular formula C27H50OSi and a molecular weight of 418.78 g/mol. Its IUPAC name is tert-butyl-[(11R)-henicosa-6,9-diyn-11-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(11R)-henicosa-6,9-diyn-11-yl]oxy-dimethylsilane
PubChem CID71377830
Molecular FormulaC27H50OSi
Molecular Weight418.78 g/mol
Exact Mass418.36
IUPAC Nametert-butyl-[(11R)-henicosa-6,9-diyn-11-yl]oxy-dimethylsilane
SMILESCCCCCC#CCC#C[C@@H](CCCCCCCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H50OSi/c1-8-10-12-14-16-18-20-22-24-26(28-29(6,7)27(3,4)5)25-23-21-19-17-15-13-11-9-2/h26H,8-16,18,20-22,24H2,1-7H3/t26-/m1/s1
InChIKeyVXOKOLJBNUBNFB-AREMUKBSSA-N
XLogP8.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.78
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-[(11R)-henicosa-6,9-diyn-11-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

[(5R)-20-bromoicosa-6,15-diyn-5-yl]oxy-tert-butyl-dimethylsilane
CID 87979821
tert-butyl-[(4S)-dec-5-yn-4-yl]oxy-dimethylsilane
CID 154722512
[(5R)-19-bromononadec-6-yn-5-yl]oxy-tert-butyl-dimethylsilane
CID 87948326
tert-butyl-[(10S)-henicos-7-yn-10-yl]oxy-dimethylsilane
CID 156597203
[(5R)-14-(3-bromopropylsulfanyl)tetradec-6-yn-5-yl]oxy-tert-butyl-dimethylsilane
CID 87948201
CID 11966927
CID 11966927
[tert-butyl(dimethyl)silyl] icosa-5,8,11-triynoate
CID 91697197
1-(4-bromophenyl)non-3-yn-2-yloxy-tert-butyl-dimethylsilane
CID 19869767
heptadeca-4,7,10-triyne
CID 171715223
tert-butyl-dimethyl-tridecan-2-yloxysilane
CID 102272520
tert-butyl-dimethyl-pentadecan-2-yloxysilane
CID 6430239
2-[tert-butyl(dimethyl)silyl]oxytetradeca-6,12-diynenitrile
CID 135071982

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(11R)-henicosa-6,9-diyn-11-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(11R)-henicosa-6,9-diyn-11-yl]oxy-dimethylsilane (CID 71377830) is tert-butyl-[(11R)-henicosa-6,9-diyn-11-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(11R)-henicosa-6,9-diyn-11-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(11R)-henicosa-6,9-diyn-11-yl]oxy-dimethylsilane is CCCCCC#CCC#C[C@@H](CCCCCCCCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(11R)-henicosa-6,9-diyn-11-yl]oxy-dimethylsilane?
The InChIKey is VXOKOLJBNUBNFB-AREMUKBSSA-N. The full InChI is InChI=1S/C27H50OSi/c1-8-10-12-14-16-18-20-22-24-26(28-29(6,7)27(3,4)5)25-23-21-19-17-15-13-11-9-2/h26H,8-16,18,20-22,24H2,1-7H3/t26-/m1/s1.
What are the key properties of tert-butyl-[(11R)-henicosa-6,9-diyn-11-yl]oxy-dimethylsilane?
tert-butyl-[(11R)-henicosa-6,9-diyn-11-yl]oxy-dimethylsilane has a molecular weight of 418.78 g/mol, XLogP of 8.88, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(11R)-henicosa-6,9-diyn-11-yl]oxy-dimethylsilane is sourced from PubChem (CID 71377830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).