[3,3-dimethyl-8-tri(propan-2-yl)silyloxyocta-1,5-diynoxy]-tri(propan-2-yl)silane

C28H54O2Si2 — CID 134875389

IUPAC[3,3-dimethyl-8-tri(propan-2-yl)silyloxyocta-1,5-diynoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC#CC(C)(C)CC#CCCO[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C28H54O2Si2/c1-22(2)31(23(3)4,24(5)6)29-20-17-15-16-18-28(13,14)19-21-30-32(25(7)8,26(9)10)27(11)12/h22-27H,17-18,20H2,1-14H3
InChIKeyHNTCKEMGMHRTDK-UHFFFAOYSA-N
MW478.91 g/mol
LogP9.14
Rot. Bonds11

About [3,3-dimethyl-8-tri(propan-2-yl)silyloxyocta-1,5-diynoxy]-tri(propan-2-yl)silane

[3,3-dimethyl-8-tri(propan-2-yl)silyloxyocta-1,5-diynoxy]-tri(propan-2-yl)silane (PubChem CID 134875389) has the molecular formula C28H54O2Si2 and a molecular weight of 478.91 g/mol. Its IUPAC name is [3,3-dimethyl-8-tri(propan-2-yl)silyloxyocta-1,5-diynoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[3,3-dimethyl-8-tri(propan-2-yl)silyloxyocta-1,5-diynoxy]-tri(propan-2-yl)silane
PubChem CID134875389
Molecular FormulaC28H54O2Si2
Molecular Weight478.91 g/mol
Exact Mass478.37
IUPAC Name[3,3-dimethyl-8-tri(propan-2-yl)silyloxyocta-1,5-diynoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC#CC(C)(C)CC#CCCO[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C28H54O2Si2/c1-22(2)31(23(3)4,24(5)6)29-20-17-15-16-18-28(13,14)19-21-30-32(25(7)8,26(9)10)27(11)12/h22-27H,17-18,20H2,1-14H3
InChIKeyHNTCKEMGMHRTDK-UHFFFAOYSA-N
XLogP9.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.91
LogP ≤ 59.14
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

4,9-Dioxa-3,10-disiladodec-6-yne, 2,2,3,3,10,10,11,11-octamethyl-
CID 10757684
Silane, [(3,3-dimethyl-1,5-decadiynyl)oxy]tris(1-methylethyl)-
CID 11674419
2,2,3,3,12,12,13,13-Octamethyl-4,11-dioxa-3,12-disilatetradec-7-yne
CID 13470485
Tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxyocta-3,5-diynoxy]-dimethylsilane
CID 10248363
2,2,3,3,14,14,15,15-Octamethyl-4,13-dioxa-3,14-disilahexadec-8-yne
CID 10883176
Tri(propan-2-yl)-[5-tri(propan-2-yl)silyloxypent-1-ynoxy]silane
CID 10884155
Tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-ynoxy]-dimethylsilane
CID 11079446
Tri(propan-2-yl)-[4-tri(propan-2-yl)silyloxybut-1-ynoxy]silane
CID 101582880
Tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-diynoxy]-dimethylsilane
CID 101736111
Tri(propan-2-yl)-[8-tri(propan-2-yl)silyloxyocta-1,5-diynoxy]silane
CID 101773314
tert-butyl-dimethyl-[(2S)-2-methyl-4-tri(propan-2-yl)silyloxybut-3-ynoxy]silane
CID 134873799
ZINC bis(tert-butyl-dimethyl-prop-2-ynoxysilane)
CID 134885362

Frequently Asked Questions

What is the IUPAC name of [3,3-dimethyl-8-tri(propan-2-yl)silyloxyocta-1,5-diynoxy]-tri(propan-2-yl)silane?
The IUPAC name of [3,3-dimethyl-8-tri(propan-2-yl)silyloxyocta-1,5-diynoxy]-tri(propan-2-yl)silane (CID 134875389) is [3,3-dimethyl-8-tri(propan-2-yl)silyloxyocta-1,5-diynoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [3,3-dimethyl-8-tri(propan-2-yl)silyloxyocta-1,5-diynoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [3,3-dimethyl-8-tri(propan-2-yl)silyloxyocta-1,5-diynoxy]-tri(propan-2-yl)silane is CC(C)[Si](OC#CC(C)(C)CC#CCCO[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [3,3-dimethyl-8-tri(propan-2-yl)silyloxyocta-1,5-diynoxy]-tri(propan-2-yl)silane?
The InChIKey is HNTCKEMGMHRTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54O2Si2/c1-22(2)31(23(3)4,24(5)6)29-20-17-15-16-18-28(13,14)19-21-30-32(25(7)8,26(9)10)27(11)12/h22-27H,17-18,20H2,1-14H3.
What are the key properties of [3,3-dimethyl-8-tri(propan-2-yl)silyloxyocta-1,5-diynoxy]-tri(propan-2-yl)silane?
[3,3-dimethyl-8-tri(propan-2-yl)silyloxyocta-1,5-diynoxy]-tri(propan-2-yl)silane has a molecular weight of 478.91 g/mol, XLogP of 9.14, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-dimethyl-8-tri(propan-2-yl)silyloxyocta-1,5-diynoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 134875389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).