5,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl-trimethylsilane

C22H48O2Si3 — CID 139252748

IUPAC5,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl-trimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC(CCC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H48O2Si3/c1-21(2,3)26(10,11)23-18-17-20(16-14-15-19-25(7,8)9)24-27(12,13)22(4,5)6/h20H,14,16-18H2,1-13H3
InChIKeySXLPLFBBCBTFFU-UHFFFAOYSA-N
MW428.88 g/mol
LogP7.45
Rot. Bonds8

About 5,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl-trimethylsilane

5,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl-trimethylsilane (PubChem CID 139252748) has the molecular formula C22H48O2Si3 and a molecular weight of 428.88 g/mol. Its IUPAC name is 5,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name5,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl-trimethylsilane
PubChem CID139252748
Molecular FormulaC22H48O2Si3
Molecular Weight428.88 g/mol
Exact Mass428.30
IUPAC Name5,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl-trimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC(CCC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H48O2Si3/c1-21(2,3)26(10,11)23-18-17-20(16-14-15-19-25(7,8)9)24-27(12,13)22(4,5)6/h20H,14,16-18H2,1-13H3
InChIKeySXLPLFBBCBTFFU-UHFFFAOYSA-N
XLogP7.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.88
LogP ≤ 57.45
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'}

Analyze 5,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl-trimethylsilane 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

Silane, dimethyl(non-5-yn-3-yloxy)hexyloxy-
CID 91735226
Silane, dimethyl(non-5-yn-3-yloxy)heptyloxy-
CID 91736746
Silane, dimethyl(2-methyloct-5-yn-4-yloxy)hexyloxy-
CID 91737718
tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoxy]-dimethylsilane
CID 10991922
(2S,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxy]trideca-4,7-diyn-6-one
CID 11339911
[(2S,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-yl]oxy-triethylsilane
CID 11420371
tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-ynoxy]-dimethylsilane
CID 11544935
tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-triethylsilyloxyhex-5-ynoxy]silane
CID 11602878
2,2,3,3,16,16,17,17-Octamethyl-4,15-dioxa-3,16-disilaoctadec-9-yne
CID 71342150
Tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-6-iodohexan-3-yl]oxy-dimethylsilane
CID 85399718
(5S,6R)-6-((ethyldimethylsilyl)oxy)-3,3,9,9-tetramethyl-5-propyl-4,8-dioxa-3,9-disilaundecane
CID 91758721
tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxytetradecan-3-yl]oxy-dimethylsilane
CID 134864006

Frequently Asked Questions

What is the IUPAC name of 5,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl-trimethylsilane?
The IUPAC name of 5,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl-trimethylsilane (CID 139252748) is 5,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl-trimethylsilane.
What is the SMILES notation for 5,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl-trimethylsilane?
The canonical SMILES for 5,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl-trimethylsilane is CC(C)(C)[Si](C)(C)OCCC(CCC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl-trimethylsilane?
The InChIKey is SXLPLFBBCBTFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48O2Si3/c1-21(2,3)26(10,11)23-18-17-20(16-14-15-19-25(7,8)9)24-27(12,13)22(4,5)6/h20H,14,16-18H2,1-13H3.
What are the key properties of 5,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl-trimethylsilane?
5,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl-trimethylsilane has a molecular weight of 428.88 g/mol, XLogP of 7.45, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl-trimethylsilane is sourced from PubChem (CID 139252748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).