tributyl-[(1R)-4-trimethylsilyloxycyclohepta-2,4-dien-1-yl]oxysilane

C22H44O2Si2 — CID 102065734

IUPACtributyl-[(1R)-4-trimethylsilyloxycyclohepta-2,4-dien-1-yl]oxysilane
SMILESCCCC[Si](CCCC)(CCCC)O[C@H]1C=CC(O[Si](C)(C)C)=CCC1
InChIInChI=1S/C22H44O2Si2/c1-7-10-18-26(19-11-8-2,20-12-9-3)24-22-15-13-14-21(16-17-22)23-25(4,5)6/h14,16-17,22H,7-13,15,18-20H2,1-6H3/t22-/m1/s1
InChIKeyRLUKWELKNRTMAZ-JOCHJYFZSA-N
MW396.76 g/mol
LogP7.80
Rot. Bonds13

About tributyl-[(1R)-4-trimethylsilyloxycyclohepta-2,4-dien-1-yl]oxysilane

tributyl-[(1R)-4-trimethylsilyloxycyclohepta-2,4-dien-1-yl]oxysilane (PubChem CID 102065734) has the molecular formula C22H44O2Si2 and a molecular weight of 396.76 g/mol. Its IUPAC name is tributyl-[(1R)-4-trimethylsilyloxycyclohepta-2,4-dien-1-yl]oxysilane.

Molecular Properties

Compound Nametributyl-[(1R)-4-trimethylsilyloxycyclohepta-2,4-dien-1-yl]oxysilane
PubChem CID102065734
Molecular FormulaC22H44O2Si2
Molecular Weight396.76 g/mol
Exact Mass396.29
IUPAC Nametributyl-[(1R)-4-trimethylsilyloxycyclohepta-2,4-dien-1-yl]oxysilane
SMILESCCCC[Si](CCCC)(CCCC)O[C@H]1C=CC(O[Si](C)(C)C)=CCC1
InChIInChI=1S/C22H44O2Si2/c1-7-10-18-26(19-11-8-2,20-12-9-3)24-22-15-13-14-21(16-17-22)23-25(4,5)6/h14,16-17,22H,7-13,15,18-20H2,1-6H3/t22-/m1/s1
InChIKeyRLUKWELKNRTMAZ-JOCHJYFZSA-N
XLogP7.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.76
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 15110385
2-Tripropylsilyloxyoct-3-ene
CID 5353192
2-Tributylsilyloxyoct-3-ene
CID 5353200
[(1R,3E)-1-[(1E,3E)-4-bromobuta-1,3-dienyl]-3,6-dimethyl-5-trimethylsilyloxyhepta-3,5-dienoxy]-tert-butyl-dimethylsilane
CID 11374890
tert-butyl-dimethyl-[(5E)-7-triethylsilyloxyocta-5,7-dienoxy]silane
CID 13067723
tert-butyl-dimethyl-[(2E,6E)-3-methyl-1-(2-methylprop-1-enylidene)-7-trimethylsilyloxynona-2,6,8-trienoxy]silane
CID 134885223
tert-butyl-[(6E,8E)-deca-1,6,8-trien-5-yl]oxy-dimethylsilane
CID 134888524
(4R,7S)-2,2-di(propan-2-yl)-4-[(E)-prop-1-enyl]-7-propyl-4,7-dihydro-1,3,2-dioxasilepine
CID 134999538
(4S,7S)-2,2-di(propan-2-yl)-4-[(E)-prop-1-enyl]-7-propyl-4,7-dihydro-1,3,2-dioxasilepine
CID 134999539
[(2E,12E)-3,12-dimethyl-11-triethylsilyloxytetradeca-2,7,12-trien-4-yl]oxy-triethylsilane
CID 135066594
[(2E,5E)-hepta-2,5-dien-4-yl]oxy-hex-1-en-3-yloxy-di(propan-2-yl)silane
CID 135079640
tert-butyl-[(2E,4Z,6S,8Z,11Z)-6-[tert-butyl(dimethyl)silyl]oxytetradeca-2,4,8,11-tetraenoxy]-dimethylsilane
CID 139252511

Frequently Asked Questions

What is the IUPAC name of tributyl-[(1R)-4-trimethylsilyloxycyclohepta-2,4-dien-1-yl]oxysilane?
The IUPAC name of tributyl-[(1R)-4-trimethylsilyloxycyclohepta-2,4-dien-1-yl]oxysilane (CID 102065734) is tributyl-[(1R)-4-trimethylsilyloxycyclohepta-2,4-dien-1-yl]oxysilane.
What is the SMILES notation for tributyl-[(1R)-4-trimethylsilyloxycyclohepta-2,4-dien-1-yl]oxysilane?
The canonical SMILES for tributyl-[(1R)-4-trimethylsilyloxycyclohepta-2,4-dien-1-yl]oxysilane is CCCC[Si](CCCC)(CCCC)O[C@H]1C=CC(O[Si](C)(C)C)=CCC1.
What is the InChIKey of tributyl-[(1R)-4-trimethylsilyloxycyclohepta-2,4-dien-1-yl]oxysilane?
The InChIKey is RLUKWELKNRTMAZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H44O2Si2/c1-7-10-18-26(19-11-8-2,20-12-9-3)24-22-15-13-14-21(16-17-22)23-25(4,5)6/h14,16-17,22H,7-13,15,18-20H2,1-6H3/t22-/m1/s1.
What are the key properties of tributyl-[(1R)-4-trimethylsilyloxycyclohepta-2,4-dien-1-yl]oxysilane?
tributyl-[(1R)-4-trimethylsilyloxycyclohepta-2,4-dien-1-yl]oxysilane has a molecular weight of 396.76 g/mol, XLogP of 7.80, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(1R)-4-trimethylsilyloxycyclohepta-2,4-dien-1-yl]oxysilane is sourced from PubChem (CID 102065734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).