8-[tert-butyl(dimethyl)silyl]oxy-1-tri(propan-2-yl)silyloct-3-yn-1-ol

C23H48O2Si2 — CID 10960617

IUPAC8-[tert-butyl(dimethyl)silyl]oxy-1-tri(propan-2-yl)silyloct-3-yn-1-ol
SMILESCC(C)[Si](C(C)C)(C(C)C)C(O)CC#CCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48O2Si2/c1-19(2)27(20(3)4,21(5)6)22(24)17-15-13-12-14-16-18-25-26(10,11)23(7,8)9/h19-22,24H,12,14,16-18H2,1-11H3
InChIKeyILAVROOWEYUBNX-UHFFFAOYSA-N
MW412.81 g/mol
LogP7.15
Rot. Bonds10

About 8-[tert-butyl(dimethyl)silyl]oxy-1-tri(propan-2-yl)silyloct-3-yn-1-ol

8-[tert-butyl(dimethyl)silyl]oxy-1-tri(propan-2-yl)silyloct-3-yn-1-ol (PubChem CID 10960617) has the molecular formula C23H48O2Si2 and a molecular weight of 412.81 g/mol. Its IUPAC name is 8-[tert-butyl(dimethyl)silyl]oxy-1-tri(propan-2-yl)silyloct-3-yn-1-ol.

Molecular Properties

Compound Name8-[tert-butyl(dimethyl)silyl]oxy-1-tri(propan-2-yl)silyloct-3-yn-1-ol
PubChem CID10960617
Molecular FormulaC23H48O2Si2
Molecular Weight412.81 g/mol
Exact Mass412.32
IUPAC Name8-[tert-butyl(dimethyl)silyl]oxy-1-tri(propan-2-yl)silyloct-3-yn-1-ol
SMILESCC(C)[Si](C(C)C)(C(C)C)C(O)CC#CCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48O2Si2/c1-19(2)27(20(3)4,21(5)6)22(24)17-15-13-12-14-16-18-25-26(10,11)23(7,8)9/h19-22,24H,12,14,16-18H2,1-11H3
InChIKeyILAVROOWEYUBNX-UHFFFAOYSA-N
XLogP7.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.81
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxy-1-tri(propan-2-yl)silyloct-3-yn-1-ol?
The IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxy-1-tri(propan-2-yl)silyloct-3-yn-1-ol (CID 10960617) is 8-[tert-butyl(dimethyl)silyl]oxy-1-tri(propan-2-yl)silyloct-3-yn-1-ol.
What is the SMILES notation for 8-[tert-butyl(dimethyl)silyl]oxy-1-tri(propan-2-yl)silyloct-3-yn-1-ol?
The canonical SMILES for 8-[tert-butyl(dimethyl)silyl]oxy-1-tri(propan-2-yl)silyloct-3-yn-1-ol is CC(C)[Si](C(C)C)(C(C)C)C(O)CC#CCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 8-[tert-butyl(dimethyl)silyl]oxy-1-tri(propan-2-yl)silyloct-3-yn-1-ol?
The InChIKey is ILAVROOWEYUBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O2Si2/c1-19(2)27(20(3)4,21(5)6)22(24)17-15-13-12-14-16-18-25-26(10,11)23(7,8)9/h19-22,24H,12,14,16-18H2,1-11H3.
What are the key properties of 8-[tert-butyl(dimethyl)silyl]oxy-1-tri(propan-2-yl)silyloct-3-yn-1-ol?
8-[tert-butyl(dimethyl)silyl]oxy-1-tri(propan-2-yl)silyloct-3-yn-1-ol has a molecular weight of 412.81 g/mol, XLogP of 7.15, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[tert-butyl(dimethyl)silyl]oxy-1-tri(propan-2-yl)silyloct-3-yn-1-ol is sourced from PubChem (CID 10960617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).