tert-butyl-[(10S)-henicos-7-yn-10-yl]oxy-dimethylsilane

C27H54OSi — CID 156597203

IUPACtert-butyl-[(10S)-henicos-7-yn-10-yl]oxy-dimethylsilane
SMILESCCCCCCC#CC[C@H](CCCCCCCCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H54OSi/c1-8-10-12-14-16-17-19-21-23-25-26(28-29(6,7)27(3,4)5)24-22-20-18-15-13-11-9-2/h26H,8-19,21,23-25H2,1-7H3/t26-/m1/s1
InChIKeyARKQEFQNRSAKTH-AREMUKBSSA-N
MW422.81 g/mol
LogP9.66
Rot. Bonds17

About tert-butyl-[(10S)-henicos-7-yn-10-yl]oxy-dimethylsilane

tert-butyl-[(10S)-henicos-7-yn-10-yl]oxy-dimethylsilane (PubChem CID 156597203) has the molecular formula C27H54OSi and a molecular weight of 422.81 g/mol. Its IUPAC name is tert-butyl-[(10S)-henicos-7-yn-10-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(10S)-henicos-7-yn-10-yl]oxy-dimethylsilane
PubChem CID156597203
Molecular FormulaC27H54OSi
Molecular Weight422.81 g/mol
Exact Mass422.39
IUPAC Nametert-butyl-[(10S)-henicos-7-yn-10-yl]oxy-dimethylsilane
SMILESCCCCCCC#CC[C@H](CCCCCCCCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H54OSi/c1-8-10-12-14-16-17-19-21-23-25-26(28-29(6,7)27(3,4)5)24-22-20-18-15-13-11-9-2/h26H,8-19,21,23-25H2,1-7H3/t26-/m1/s1
InChIKeyARKQEFQNRSAKTH-AREMUKBSSA-N
XLogP9.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.81
LogP ≤ 59.66
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-[(10S)-henicos-7-yn-10-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

tert-butyl-dimethyl-[(5S)-1-trimethylsilyldec-1-yn-5-yl]oxysilane
CID 72549741
tert-butyl-[(11R)-henicosa-6,9-diyn-11-yl]oxy-dimethylsilane
CID 71377830
tert-butyl-[(3R)-1-iododecan-3-yl]oxy-dimethylsilane
CID 140734279
tert-butyl-dimethyl-[(4S)-oct-1-yn-4-yl]oxysilane
CID 129405343
tert-butyl-dimethyl-tridecan-2-yloxysilane
CID 102272520
tert-butyl-dimethyl-pentadecan-2-yloxysilane
CID 6430239
(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxytridec-1-yn-4-ol
CID 57407601
tert-butyl-[(5S)-1-methoxytrideca-2,3-dien-7-yn-5-yl]oxy-dimethylsilane
CID 15459009
(2R)-1-[tert-butyl(dimethyl)silyl]oxynonadec-4-yn-2-ol;hexadec-1-yne
CID 164949414
tert-butyl-[(4S,7R)-4-[tert-butyl(dimethyl)silyl]oxyhenicos-1-en-7-yl]oxy-dimethylsilane
CID 11215040
[(5R)-20-bromoicosa-6,15-diyn-5-yl]oxy-tert-butyl-dimethylsilane
CID 87979821
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxytetradecanoate
CID 58160475

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(10S)-henicos-7-yn-10-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(10S)-henicos-7-yn-10-yl]oxy-dimethylsilane (CID 156597203) is tert-butyl-[(10S)-henicos-7-yn-10-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(10S)-henicos-7-yn-10-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(10S)-henicos-7-yn-10-yl]oxy-dimethylsilane is CCCCCCC#CC[C@H](CCCCCCCCCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(10S)-henicos-7-yn-10-yl]oxy-dimethylsilane?
The InChIKey is ARKQEFQNRSAKTH-AREMUKBSSA-N. The full InChI is InChI=1S/C27H54OSi/c1-8-10-12-14-16-17-19-21-23-25-26(28-29(6,7)27(3,4)5)24-22-20-18-15-13-11-9-2/h26H,8-19,21,23-25H2,1-7H3/t26-/m1/s1.
What are the key properties of tert-butyl-[(10S)-henicos-7-yn-10-yl]oxy-dimethylsilane?
tert-butyl-[(10S)-henicos-7-yn-10-yl]oxy-dimethylsilane has a molecular weight of 422.81 g/mol, XLogP of 9.66, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(10S)-henicos-7-yn-10-yl]oxy-dimethylsilane is sourced from PubChem (CID 156597203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).