tert-butyl-dimethyl-[(4S)-oct-1-yn-4-yl]oxysilane

C14H28OSi — CID 129405343

IUPACtert-butyl-dimethyl-[(4S)-oct-1-yn-4-yl]oxysilane
SMILESC#CC[C@H](CCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28OSi/c1-8-10-12-13(11-9-2)15-16(6,7)14(3,4)5/h2,13H,8,10-12H2,1,3-7H3/t13-/m1/s1
InChIKeyRSRMIMDUNSPGFE-CYBMUJFWSA-N
MW240.46 g/mol
LogP4.59
Rot. Bonds6

About tert-butyl-dimethyl-[(4S)-oct-1-yn-4-yl]oxysilane

tert-butyl-dimethyl-[(4S)-oct-1-yn-4-yl]oxysilane (PubChem CID 129405343) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(4S)-oct-1-yn-4-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(4S)-oct-1-yn-4-yl]oxysilane
PubChem CID129405343
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Nametert-butyl-dimethyl-[(4S)-oct-1-yn-4-yl]oxysilane
SMILESC#CC[C@H](CCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28OSi/c1-8-10-12-13(11-9-2)15-16(6,7)14(3,4)5/h2,13H,8,10-12H2,1,3-7H3/t13-/m1/s1
InChIKeyRSRMIMDUNSPGFE-CYBMUJFWSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxytridec-1-yn-4-ol
CID 57407601
trimethyl(non-1-yn-4-yloxy)silane
CID 10954874
tert-butyl-[(10S)-henicos-7-yn-10-yl]oxy-dimethylsilane
CID 156597203
(3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynal
CID 11218406
tert-butyl-dimethyl-(1-phenylhex-5-yn-3-yloxy)silane
CID 139249096
tert-butyl-dimethyl-pent-4-yn-2-yloxysilane
CID 588048
tert-butyl-[(3R)-1-iododecan-3-yl]oxy-dimethylsilane
CID 140734279
tert-butyl-[(2R)-1-iodododec-11-yn-2-yl]oxy-dimethylsilane
CID 125497051
tert-butyl-dimethyl-[(5S)-1-trimethylsilyldec-1-yn-5-yl]oxysilane
CID 72549741
[(E,4R)-4-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]boronic acid
CID 129405347
(2R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-yn-1-ol
CID 121013901
tert-butyl-dimethyl-[1-(1-propylcyclobutyl)but-3-ynoxy]silane
CID 15475299

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(4S)-oct-1-yn-4-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(4S)-oct-1-yn-4-yl]oxysilane (CID 129405343) is tert-butyl-dimethyl-[(4S)-oct-1-yn-4-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(4S)-oct-1-yn-4-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(4S)-oct-1-yn-4-yl]oxysilane is C#CC[C@H](CCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(4S)-oct-1-yn-4-yl]oxysilane?
The InChIKey is RSRMIMDUNSPGFE-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H28OSi/c1-8-10-12-13(11-9-2)15-16(6,7)14(3,4)5/h2,13H,8,10-12H2,1,3-7H3/t13-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(4S)-oct-1-yn-4-yl]oxysilane?
tert-butyl-dimethyl-[(4S)-oct-1-yn-4-yl]oxysilane has a molecular weight of 240.46 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(4S)-oct-1-yn-4-yl]oxysilane is sourced from PubChem (CID 129405343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).