[(3E)-4-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane

C9H18O2Si — CID 10899374

IUPAC[(3E)-4-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane
SMILESC=C(O[Si](C)(C)C)/C(C)=C/OC
InChIInChI=1S/C9H18O2Si/c1-8(7-10-3)9(2)11-12(4,5)6/h7H,2H2,1,3-6H3/b8-7+
InChIKeySJCCHURCDFWFLG-BQYQJAHWSA-N
MW186.33 g/mol
LogP2.90
Rot. Bonds4

About [(3E)-4-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane

[(3E)-4-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane (PubChem CID 10899374) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is [(3E)-4-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3E)-4-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane
PubChem CID10899374
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name[(3E)-4-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane
SMILESC=C(O[Si](C)(C)C)/C(C)=C/OC
InChIInChI=1S/C9H18O2Si/c1-8(7-10-3)9(2)11-12(4,5)6/h7H,2H2,1,3-6H3/b8-7+
InChIKeySJCCHURCDFWFLG-BQYQJAHWSA-N
XLogP2.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(1E,3Z)-1-Methoxy-2-methyl-3-(trimethylsilyloxy)-1,3-pentadiene
CID 10921550
[(1Z)-1-ethoxy-3-methylbuta-1,3-dienoxy]-trimethylsilane
CID 11229420
tert-butyl-[(1E,3Z)-1-methoxy-2-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane
CID 13498541
1-Methoxy-2,4-dimethyl-3-(trimethylsiloxy)butadiene
CID 53420224
[(4-Methoxy-3-methylbuta-1,3-dien-2-yl)oxy](trimethyl)silane
CID 54308306
1-Methoxy-3-(trimethylsilyloxy)-2-methyl-1-propene
CID 57014273
(1-Ethoxy-3-methylbuta-1,3-dienoxy)-trimethylsilane
CID 72760632
5-(Methoxymethylidene)-2,2,8,8-tetramethyl-4,6-dimethylidene-3,7-dioxa-2,8-disilanonane
CID 10891478
[(1E)-2,3-dimethylbuta-1,3-dienoxy]-trimethylsilane
CID 10986710
[(1Z)-1-methoxy-2-methyl-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
CID 11277353
trimethyl-[(1E,3Z)-2-methyl-1-[(2-methylpropan-2-yl)oxy]penta-1,3-dien-3-yl]oxysilane
CID 11322468
trimethyl-[(1E)-2-methyl-3-trimethylsilyloxybuta-1,3-dienoxy]silane
CID 12902497

Frequently Asked Questions

What is the IUPAC name of [(3E)-4-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane?
The IUPAC name of [(3E)-4-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane (CID 10899374) is [(3E)-4-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [(3E)-4-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane?
The canonical SMILES for [(3E)-4-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane is C=C(O[Si](C)(C)C)/C(C)=C/OC.
What is the InChIKey of [(3E)-4-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane?
The InChIKey is SJCCHURCDFWFLG-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-8(7-10-3)9(2)11-12(4,5)6/h7H,2H2,1,3-6H3/b8-7+.
What are the key properties of [(3E)-4-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane?
[(3E)-4-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane has a molecular weight of 186.33 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-4-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 10899374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).