tert-butyl-dimethyl-(4-prop-2-enylcyclohexa-1,5-dien-1-yl)oxysilane

C15H26OSi — CID 91574746

IUPACtert-butyl-dimethyl-(4-prop-2-enylcyclohexa-1,5-dien-1-yl)oxysilane
SMILESC=CCC1C=CC(O[Si](C)(C)C(C)(C)C)=CC1
InChIInChI=1S/C15H26OSi/c1-7-8-13-9-11-14(12-10-13)16-17(5,6)15(2,3)4/h7,9,11-13H,1,8,10H2,2-6H3
InChIKeyYSMRBFLXLXTUGO-UHFFFAOYSA-N
MW250.46 g/mol
LogP5.04
Rot. Bonds4

About tert-butyl-dimethyl-(4-prop-2-enylcyclohexa-1,5-dien-1-yl)oxysilane

tert-butyl-dimethyl-(4-prop-2-enylcyclohexa-1,5-dien-1-yl)oxysilane (PubChem CID 91574746) has the molecular formula C15H26OSi and a molecular weight of 250.46 g/mol. Its IUPAC name is tert-butyl-dimethyl-(4-prop-2-enylcyclohexa-1,5-dien-1-yl)oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(4-prop-2-enylcyclohexa-1,5-dien-1-yl)oxysilane
PubChem CID91574746
Molecular FormulaC15H26OSi
Molecular Weight250.46 g/mol
Exact Mass250.18
IUPAC Nametert-butyl-dimethyl-(4-prop-2-enylcyclohexa-1,5-dien-1-yl)oxysilane
SMILESC=CCC1C=CC(O[Si](C)(C)C(C)(C)C)=CC1
InChIInChI=1S/C15H26OSi/c1-7-8-13-9-11-14(12-10-13)16-17(5,6)15(2,3)4/h7,9,11-13H,1,8,10H2,2-6H3
InChIKeyYSMRBFLXLXTUGO-UHFFFAOYSA-N
XLogP5.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.46
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctyl]-2-prop-2-enylcyclopent-3-en-1-ol
CID 19835946
5-[[4-(2,2-dimethylpropyl)cyclohexa-1,5-dien-1-yl]oxymethyl]-2,3-bis(ethenyl)thiophene
CID 142267600
(5-bromo-2-chlorophenyl)-[4-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]methanol
CID 153487283
tert-butyl-[[(2S,3R)-2-ethenyl-3-methoxy-3,4-dihydro-2H-pyran-6-yl]oxy]-dimethylsilane
CID 134892749
(1S,2R)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-2-prop-2-enylcyclopent-3-en-1-ol
CID 18636625
tert-butyl-[3,3-dibromo-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
CID 67931117
tert-butyl-dimethyl-(4-methylcyclopenta-1,4-dien-1-yl)oxysilane
CID 14838981
2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol
CID 135044795
tert-butyl-dimethyl-[4-methyl-1-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)nonan-3-yl]oxysilane
CID 19836127
tert-butyl-(3-ethenyl-2-methylcyclopenten-1-yl)oxy-dimethylsilane
CID 101362694
(4R)-4-[(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enyl]cyclopent-2-en-1-one
CID 140749971
3-[tert-butyl(dimethyl)silyl]-1-[(1R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-1,4,4-trimethyl-5-prop-2-enylcyclohex-2-en-1-yl]prop-2-yn-1-one
CID 138966126

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(4-prop-2-enylcyclohexa-1,5-dien-1-yl)oxysilane?
The IUPAC name of tert-butyl-dimethyl-(4-prop-2-enylcyclohexa-1,5-dien-1-yl)oxysilane (CID 91574746) is tert-butyl-dimethyl-(4-prop-2-enylcyclohexa-1,5-dien-1-yl)oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-(4-prop-2-enylcyclohexa-1,5-dien-1-yl)oxysilane?
The canonical SMILES for tert-butyl-dimethyl-(4-prop-2-enylcyclohexa-1,5-dien-1-yl)oxysilane is C=CCC1C=CC(O[Si](C)(C)C(C)(C)C)=CC1.
What is the InChIKey of tert-butyl-dimethyl-(4-prop-2-enylcyclohexa-1,5-dien-1-yl)oxysilane?
The InChIKey is YSMRBFLXLXTUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26OSi/c1-7-8-13-9-11-14(12-10-13)16-17(5,6)15(2,3)4/h7,9,11-13H,1,8,10H2,2-6H3.
What are the key properties of tert-butyl-dimethyl-(4-prop-2-enylcyclohexa-1,5-dien-1-yl)oxysilane?
tert-butyl-dimethyl-(4-prop-2-enylcyclohexa-1,5-dien-1-yl)oxysilane has a molecular weight of 250.46 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(4-prop-2-enylcyclohexa-1,5-dien-1-yl)oxysilane is sourced from PubChem (CID 91574746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).