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

C23H46O2Si2 — CID 11080110

IUPAC8-[tert-butyl(dimethyl)silyl]oxy-1-tri(propan-2-yl)silyloct-3-yn-1-one
SMILESCC(C)[Si](C(=O)CC#CCCCCO[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H46O2Si2/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/h19-21H,12,14,16-18H2,1-11H3
InChIKeyDHLDMQFADLBHBQ-UHFFFAOYSA-N
MW410.79 g/mol
LogP7.36
Rot. Bonds10

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

8-[tert-butyl(dimethyl)silyl]oxy-1-tri(propan-2-yl)silyloct-3-yn-1-one (PubChem CID 11080110) has the molecular formula C23H46O2Si2 and a molecular weight of 410.79 g/mol. Its IUPAC name is 8-[tert-butyl(dimethyl)silyl]oxy-1-tri(propan-2-yl)silyloct-3-yn-1-one.

Molecular Properties

Compound Name8-[tert-butyl(dimethyl)silyl]oxy-1-tri(propan-2-yl)silyloct-3-yn-1-one
PubChem CID11080110
Molecular FormulaC23H46O2Si2
Molecular Weight410.79 g/mol
Exact Mass410.30
IUPAC Name8-[tert-butyl(dimethyl)silyl]oxy-1-tri(propan-2-yl)silyloct-3-yn-1-one
SMILESCC(C)[Si](C(=O)CC#CCCCCO[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H46O2Si2/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/h19-21H,12,14,16-18H2,1-11H3
InChIKeyDHLDMQFADLBHBQ-UHFFFAOYSA-N
XLogP7.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.79
LogP ≤ 57.36
H-Bond Donors ≤ 50
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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Related Compounds

Tert-butyl-dimethyl-(6-trimethylsilylhex-5-ynoxy)silane
CID 11129835
2,2,3,3,14,14,15,15-Octamethyl-4,13-dioxa-3,14-disilahexadec-8-yne
CID 10883176
(2S,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxy]trideca-4,7-diyn-6-one
CID 11339911
1,9-Bis[[tert-butyl(dimethyl)silyl]oxy]non-4-yn-3-one
CID 11452321
1,8-Bis[[tert-butyl(dimethyl)silyl]oxy]oct-4-yn-3-one
CID 12040186
2,2,3,3,16,16,17,17-Octamethyl-4,15-dioxa-3,16-disilaoctadec-9-yne
CID 71342150
Tri(propan-2-yl)-[11-tri(propan-2-yl)silyloxyundeca-1,6-diynoxy]silane
CID 134977532
6-[Tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yn-3-one
CID 146161882
(2S)-2,11-bis[[tert-butyl(dimethyl)silyl]oxy]trideca-4,7-diyn-6-one
CID 16116371
1,16-Bis[[tert-butyl(dimethyl)silyl]oxy]hexadeca-3,5,10,12-tetrayn-7-one
CID 89717141
1,16-Bis[[tert-butyl(dimethyl)silyl]oxy]hexadeca-4,6,11,13-tetrayn-8-one
CID 89717142
Tert-butyl-[7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynoxy]-dimethylsilane
CID 90204747

Frequently Asked Questions

What is the IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxy-1-tri(propan-2-yl)silyloct-3-yn-1-one?
The IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxy-1-tri(propan-2-yl)silyloct-3-yn-1-one (CID 11080110) is 8-[tert-butyl(dimethyl)silyl]oxy-1-tri(propan-2-yl)silyloct-3-yn-1-one.
What is the SMILES notation for 8-[tert-butyl(dimethyl)silyl]oxy-1-tri(propan-2-yl)silyloct-3-yn-1-one?
The canonical SMILES for 8-[tert-butyl(dimethyl)silyl]oxy-1-tri(propan-2-yl)silyloct-3-yn-1-one is CC(C)[Si](C(=O)CC#CCCCCO[Si](C)(C)C(C)(C)C)(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-one?
The InChIKey is DHLDMQFADLBHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O2Si2/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/h19-21H,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-one?
8-[tert-butyl(dimethyl)silyl]oxy-1-tri(propan-2-yl)silyloct-3-yn-1-one has a molecular weight of 410.79 g/mol, XLogP of 7.36, 10 rotatable bonds, 0 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-one is sourced from PubChem (CID 11080110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).