[(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-ynyl]-trimethylsilane

C20H44O2Si3 — CID 11315575

IUPAC[(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-ynyl]-trimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H](CC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H44O2Si3/c1-19(2,3)24(10,11)21-17-18(15-14-16-23(7,8)9)22-25(12,13)20(4,5)6/h18H,15,17H2,1-13H3/t18-/m0/s1
InChIKeyPOZMPKDPRRFJDI-SFHVURJKSA-N
MW400.83 g/mol
LogP6.67
Rot. Bonds6

About [(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-ynyl]-trimethylsilane

[(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-ynyl]-trimethylsilane (PubChem CID 11315575) has the molecular formula C20H44O2Si3 and a molecular weight of 400.83 g/mol. Its IUPAC name is [(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-ynyl]-trimethylsilane
PubChem CID11315575
Molecular FormulaC20H44O2Si3
Molecular Weight400.83 g/mol
Exact Mass400.26
IUPAC Name[(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-ynyl]-trimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H](CC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H44O2Si3/c1-19(2,3)24(10,11)21-17-18(15-14-16-23(7,8)9)22-25(12,13)20(4,5)6/h18H,15,17H2,1-13H3/t18-/m0/s1
InChIKeyPOZMPKDPRRFJDI-SFHVURJKSA-N
XLogP6.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.83
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-ynyl]-trimethylsilane?
The IUPAC name of [(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-ynyl]-trimethylsilane (CID 11315575) is [(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-ynyl]-trimethylsilane?
The canonical SMILES for [(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-ynyl]-trimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H](CC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-ynyl]-trimethylsilane?
The InChIKey is POZMPKDPRRFJDI-SFHVURJKSA-N. The full InChI is InChI=1S/C20H44O2Si3/c1-19(2,3)24(10,11)21-17-18(15-14-16-23(7,8)9)22-25(12,13)20(4,5)6/h18H,15,17H2,1-13H3/t18-/m0/s1.
What are the key properties of [(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-ynyl]-trimethylsilane?
[(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-ynyl]-trimethylsilane has a molecular weight of 400.83 g/mol, XLogP of 6.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-ynyl]-trimethylsilane is sourced from PubChem (CID 11315575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).