[(1E)-1-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane

C8H16O2Si — CID 12051225

IUPAC[(1E)-1-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane
SMILESC=C/C(=C\OC)O[Si](C)(C)C
InChIInChI=1S/C8H16O2Si/c1-6-8(7-9-2)10-11(3,4)5/h6-7H,1H2,2-5H3/b8-7+
InChIKeyUAXVHHHCTXIZGJ-BQYQJAHWSA-N
MW172.30 g/mol
LogP2.51
Rot. Bonds4

About [(1E)-1-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane

[(1E)-1-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane (PubChem CID 12051225) has the molecular formula C8H16O2Si and a molecular weight of 172.30 g/mol. Its IUPAC name is [(1E)-1-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1E)-1-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane
PubChem CID12051225
Molecular FormulaC8H16O2Si
Molecular Weight172.30 g/mol
Exact Mass172.09
IUPAC Name[(1E)-1-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane
SMILESC=C/C(=C\OC)O[Si](C)(C)C
InChIInChI=1S/C8H16O2Si/c1-6-8(7-9-2)10-11(3,4)5/h6-7H,1H2,2-5H3/b8-7+
InChIKeyUAXVHHHCTXIZGJ-BQYQJAHWSA-N
XLogP2.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 52.51
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

[(Z)-1,2-dimethoxyethenoxy]-trimethylsilane
CID 11137664
trimethyl-(2-methyl-1-trimethylsilyloxybuta-1,3-dienoxy)silane
CID 12054504
1-methoxy-2-methylbuta-1,3-diene
CID 54143259
trimethylsilyl 2-methylidenebut-3-enoate
CID 19933334
trimethyl-[1-(1-trimethylsilyloxyethenoxy)ethenoxy]silane
CID 22402553
3-(methoxymethylidene)dec-1-en-2-yloxy-trimethylsilane
CID 139909196
(2-ethenyl-1-methoxy-4-methylpenta-1,4-dienoxy)-trimethylsilane
CID 71324080
trimethyl-[(1Z)-2-methylbuta-1,3-dienoxy]silane
CID 18541573
(1E)-2-methoxy-1-methylsulfanylbuta-1,3-diene
CID 178133797
(3E)-3-(methoxymethylidene)pent-4-en-2-one
CID 71507795
trimethyl-[(1Z)-1-trimethylsilylbuta-1,3-dienoxy]silane
CID 177429262
[(3E)-4-chloro-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
CID 138969726

Frequently Asked Questions

What is the IUPAC name of [(1E)-1-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane?
The IUPAC name of [(1E)-1-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane (CID 12051225) is [(1E)-1-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [(1E)-1-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane?
The canonical SMILES for [(1E)-1-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane is C=C/C(=C\OC)O[Si](C)(C)C.
What is the InChIKey of [(1E)-1-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane?
The InChIKey is UAXVHHHCTXIZGJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H16O2Si/c1-6-8(7-9-2)10-11(3,4)5/h6-7H,1H2,2-5H3/b8-7+.
What are the key properties of [(1E)-1-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane?
[(1E)-1-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane has a molecular weight of 172.30 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-1-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 12051225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).