tert-butyl-dimethyl-[(4S)-4-[2-tri(propan-2-yl)silylethynyl]hex-5-enoxy]silane

C23H46OSi2 — CID 134966558

IUPACtert-butyl-dimethyl-[(4S)-4-[2-tri(propan-2-yl)silylethynyl]hex-5-enoxy]silane
SMILESC=C[C@@H](C#C[Si](C(C)C)(C(C)C)C(C)C)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46OSi2/c1-13-22(15-14-17-24-25(11,12)23(8,9)10)16-18-26(19(2)3,20(4)5)21(6)7/h13,19-22H,1,14-15,17H2,2-12H3/t22-/m1/s1
InChIKeyRYOLAVLKUNQYSE-JOCHJYFZSA-N
MW394.79 g/mol
LogP7.81
Rot. Bonds9

About tert-butyl-dimethyl-[(4S)-4-[2-tri(propan-2-yl)silylethynyl]hex-5-enoxy]silane

tert-butyl-dimethyl-[(4S)-4-[2-tri(propan-2-yl)silylethynyl]hex-5-enoxy]silane (PubChem CID 134966558) has the molecular formula C23H46OSi2 and a molecular weight of 394.79 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(4S)-4-[2-tri(propan-2-yl)silylethynyl]hex-5-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(4S)-4-[2-tri(propan-2-yl)silylethynyl]hex-5-enoxy]silane
PubChem CID134966558
Molecular FormulaC23H46OSi2
Molecular Weight394.79 g/mol
Exact Mass394.31
IUPAC Nametert-butyl-dimethyl-[(4S)-4-[2-tri(propan-2-yl)silylethynyl]hex-5-enoxy]silane
SMILESC=C[C@@H](C#C[Si](C(C)C)(C(C)C)C(C)C)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46OSi2/c1-13-22(15-14-17-24-25(11,12)23(8,9)10)16-18-26(19(2)3,20(4)5)21(6)7/h13,19-22H,1,14-15,17H2,2-12H3/t22-/m1/s1
InChIKeyRYOLAVLKUNQYSE-JOCHJYFZSA-N
XLogP7.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.79
LogP ≤ 57.81
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl-dimethyl-(1-trimethylsilylhept-6-en-1-yn-3-yloxy)silane
CID 11173984
tert-butyl-dimethyl-[(2R)-2-prop-2-ynylhex-5-enoxy]silane
CID 16220311
(E)-tert-Butyldimethyl-(9-(trimethylsilyl)non-5-en-8-ynyloxy)silane
CID 45259157
2-[(E)-but-2-enyl]oct-4-ynoxy-tert-butyl-dimethylsilane
CID 134887198
tert-butyl-[(E)-dodec-10-en-5-ynoxy]-dimethylsilane
CID 134887219
tert-butyl-dimethyl-[(3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-yl]oxysilane
CID 135042365
Hex-1-ynyl-(2-methylhex-5-en-3-yloxy)-di(propan-2-yl)silane
CID 135073752
Tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylgermylhept-1-en-6-yn-4-yl]-dimethylsilane
CID 135077532
tert-butyl-dimethyl-[(Z)-8-trimethylsilyloct-5-en-7-ynoxy]silane
CID 135078784
Tert-butyl-dimethyl-(8-trimethylsilyloct-1-en-7-yn-3-yloxy)silane
CID 11120485
tert-butyl-[(2R,4S)-2,4-dimethylhex-5-enoxy]-dimethylsilane
CID 102323146
tert-butyl-dimethyl-[(2S)-2-methyl-4-(trimethylsilylmethyl)pent-4-enoxy]silane
CID 57660050

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(4S)-4-[2-tri(propan-2-yl)silylethynyl]hex-5-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(4S)-4-[2-tri(propan-2-yl)silylethynyl]hex-5-enoxy]silane (CID 134966558) is tert-butyl-dimethyl-[(4S)-4-[2-tri(propan-2-yl)silylethynyl]hex-5-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(4S)-4-[2-tri(propan-2-yl)silylethynyl]hex-5-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(4S)-4-[2-tri(propan-2-yl)silylethynyl]hex-5-enoxy]silane is C=C[C@@H](C#C[Si](C(C)C)(C(C)C)C(C)C)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(4S)-4-[2-tri(propan-2-yl)silylethynyl]hex-5-enoxy]silane?
The InChIKey is RYOLAVLKUNQYSE-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H46OSi2/c1-13-22(15-14-17-24-25(11,12)23(8,9)10)16-18-26(19(2)3,20(4)5)21(6)7/h13,19-22H,1,14-15,17H2,2-12H3/t22-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(4S)-4-[2-tri(propan-2-yl)silylethynyl]hex-5-enoxy]silane?
tert-butyl-dimethyl-[(4S)-4-[2-tri(propan-2-yl)silylethynyl]hex-5-enoxy]silane has a molecular weight of 394.79 g/mol, XLogP of 7.81, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(4S)-4-[2-tri(propan-2-yl)silylethynyl]hex-5-enoxy]silane is sourced from PubChem (CID 134966558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).