tert-butyl-(3-methoxycyclopenta-1,4-dien-1-yl)oxy-dimethylsilane

C12H22O2Si — CID 102599804

IUPACtert-butyl-(3-methoxycyclopenta-1,4-dien-1-yl)oxy-dimethylsilane
SMILESCOC1C=CC(O[Si](C)(C)C(C)(C)C)=C1
InChIInChI=1S/C12H22O2Si/c1-12(2,3)15(5,6)14-11-8-7-10(9-11)13-4/h7-10H,1-6H3
InChIKeyWSMHEMVRBAQIMT-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.48
Rot. Bonds3

About tert-butyl-(3-methoxycyclopenta-1,4-dien-1-yl)oxy-dimethylsilane

tert-butyl-(3-methoxycyclopenta-1,4-dien-1-yl)oxy-dimethylsilane (PubChem CID 102599804) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is tert-butyl-(3-methoxycyclopenta-1,4-dien-1-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(3-methoxycyclopenta-1,4-dien-1-yl)oxy-dimethylsilane
PubChem CID102599804
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Nametert-butyl-(3-methoxycyclopenta-1,4-dien-1-yl)oxy-dimethylsilane
SMILESCOC1C=CC(O[Si](C)(C)C(C)(C)C)=C1
InChIInChI=1S/C12H22O2Si/c1-12(2,3)15(5,6)14-11-8-7-10(9-11)13-4/h7-10H,1-6H3
InChIKeyWSMHEMVRBAQIMT-UHFFFAOYSA-N
XLogP3.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.48
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-[(2Z)-4-methoxy-6-methylhepta-2,5-dienoxy]-dimethylsilane
CID 11572572
(2r,5s)-(z)-2-Methoxy-5-(triisopropylsilyloxy)hex-3-ene
CID 129826301
(2s,5s)-(z)-2-Methoxy-5-(triisopropylsilyloxy)hex-3-ene
CID 129826316
(3-Methoxycyclohexa-1,4-dien-1-yl)oxy-dimethyl-propan-2-ylsilane
CID 134906247
Tert-butyl-(3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane
CID 134906464
Tert-butyl-(6-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane
CID 134975843
tert-butyl-[(2S)-4-ethenylhexa-3,5-dien-2-yl]oxy-dimethylsilane
CID 134993571
tert-butyl-dimethyl-[(3R,4E,6Z)-octa-4,6-dien-3-yl]oxysilane
CID 138982734
tert-butyl-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 10728073
Tert-butyl-(3,4-dimethylcyclopenta-2,4-dien-1-yl)oxy-dimethylsilane
CID 15810785
[2-(1-Methoxyethyl)cyclopenta-1,3-dien-1-yl]-trimethylsilane
CID 18766820
tert-butyl-[(4S)-4-methoxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 58516274

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3-methoxycyclopenta-1,4-dien-1-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(3-methoxycyclopenta-1,4-dien-1-yl)oxy-dimethylsilane (CID 102599804) is tert-butyl-(3-methoxycyclopenta-1,4-dien-1-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(3-methoxycyclopenta-1,4-dien-1-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(3-methoxycyclopenta-1,4-dien-1-yl)oxy-dimethylsilane is COC1C=CC(O[Si](C)(C)C(C)(C)C)=C1.
What is the InChIKey of tert-butyl-(3-methoxycyclopenta-1,4-dien-1-yl)oxy-dimethylsilane?
The InChIKey is WSMHEMVRBAQIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-12(2,3)15(5,6)14-11-8-7-10(9-11)13-4/h7-10H,1-6H3.
What are the key properties of tert-butyl-(3-methoxycyclopenta-1,4-dien-1-yl)oxy-dimethylsilane?
tert-butyl-(3-methoxycyclopenta-1,4-dien-1-yl)oxy-dimethylsilane has a molecular weight of 226.39 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-methoxycyclopenta-1,4-dien-1-yl)oxy-dimethylsilane is sourced from PubChem (CID 102599804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).