tert-butyl-dimethyl-[(5S)-1-trimethylsilyldec-1-yn-5-yl]oxysilane

C19H40OSi2 — CID 72549741

IUPACtert-butyl-dimethyl-[(5S)-1-trimethylsilyldec-1-yn-5-yl]oxysilane
SMILESCCCCC[C@@H](CCC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40OSi2/c1-10-11-12-15-18(16-13-14-17-21(5,6)7)20-22(8,9)19(2,3)4/h18H,10-13,15-16H2,1-9H3/t18-/m0/s1
InChIKeyAWKPSCQESKDKMT-SFHVURJKSA-N
MW340.70 g/mol
LogP6.62
Rot. Bonds8

About tert-butyl-dimethyl-[(5S)-1-trimethylsilyldec-1-yn-5-yl]oxysilane

tert-butyl-dimethyl-[(5S)-1-trimethylsilyldec-1-yn-5-yl]oxysilane (PubChem CID 72549741) has the molecular formula C19H40OSi2 and a molecular weight of 340.70 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(5S)-1-trimethylsilyldec-1-yn-5-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(5S)-1-trimethylsilyldec-1-yn-5-yl]oxysilane
PubChem CID72549741
Molecular FormulaC19H40OSi2
Molecular Weight340.70 g/mol
Exact Mass340.26
IUPAC Nametert-butyl-dimethyl-[(5S)-1-trimethylsilyldec-1-yn-5-yl]oxysilane
SMILESCCCCC[C@@H](CCC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40OSi2/c1-10-11-12-15-18(16-13-14-17-21(5,6)7)20-22(8,9)19(2,3)4/h18H,10-13,15-16H2,1-9H3/t18-/m0/s1
InChIKeyAWKPSCQESKDKMT-SFHVURJKSA-N
XLogP6.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.70
LogP ≤ 56.62
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'}

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Related Compounds

tert-butyl-[(10S)-henicos-7-yn-10-yl]oxy-dimethylsilane
CID 156597203
tert-butyl-[(3R)-1-iododecan-3-yl]oxy-dimethylsilane
CID 140734279
tert-butyl-[(4S,7R)-4-[tert-butyl(dimethyl)silyl]oxyhenicos-1-en-7-yl]oxy-dimethylsilane
CID 11215040
tert-butyl-dimethyl-[(4S)-oct-1-yn-4-yl]oxysilane
CID 129405343
methyl 12-[tert-butyl(dimethyl)silyl]oxynonadecanoate
CID 526837
methyl 10-[tert-butyl(dimethyl)silyl]oxyheptadecanoate
CID 526836
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
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxytetradecanoate
CID 58160475
tert-butyl-dimethyl-[1-(5-oxabicyclo[2.1.1]hexan-6-yloxy)hexadecan-7-yloxy]silane
CID 57257200
tert-butyl-dimethyl-[(7E,9Z)-12-trimethylsilyldodeca-7,9-dien-11-yn-6-yl]oxysilane
CID 11024906

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(5S)-1-trimethylsilyldec-1-yn-5-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(5S)-1-trimethylsilyldec-1-yn-5-yl]oxysilane (CID 72549741) is tert-butyl-dimethyl-[(5S)-1-trimethylsilyldec-1-yn-5-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(5S)-1-trimethylsilyldec-1-yn-5-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(5S)-1-trimethylsilyldec-1-yn-5-yl]oxysilane is CCCCC[C@@H](CCC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(5S)-1-trimethylsilyldec-1-yn-5-yl]oxysilane?
The InChIKey is AWKPSCQESKDKMT-SFHVURJKSA-N. The full InChI is InChI=1S/C19H40OSi2/c1-10-11-12-15-18(16-13-14-17-21(5,6)7)20-22(8,9)19(2,3)4/h18H,10-13,15-16H2,1-9H3/t18-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(5S)-1-trimethylsilyldec-1-yn-5-yl]oxysilane?
tert-butyl-dimethyl-[(5S)-1-trimethylsilyldec-1-yn-5-yl]oxysilane has a molecular weight of 340.70 g/mol, XLogP of 6.62, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(5S)-1-trimethylsilyldec-1-yn-5-yl]oxysilane is sourced from PubChem (CID 72549741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).