[(1E)-1-methoxybuta-1,3-dienoxy]-trimethylsilane

C8H16O2Si — CID 10899145

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

About [(1E)-1-methoxybuta-1,3-dienoxy]-trimethylsilane

[(1E)-1-methoxybuta-1,3-dienoxy]-trimethylsilane (PubChem CID 10899145) has the molecular formula C8H16O2Si and a molecular weight of 172.30 g/mol. Its IUPAC name is [(1E)-1-methoxybuta-1,3-dienoxy]-trimethylsilane.

Molecular Properties

Compound Name[(1E)-1-methoxybuta-1,3-dienoxy]-trimethylsilane
PubChem CID10899145
Molecular FormulaC8H16O2Si
Molecular Weight172.30 g/mol
Exact Mass172.09
IUPAC Name[(1E)-1-methoxybuta-1,3-dienoxy]-trimethylsilane
SMILESC=C/C=C(\OC)O[Si](C)(C)C
InChIInChI=1S/C8H16O2Si/c1-6-7-8(9-2)10-11(3,4)5/h6-7H,1H2,2-5H3/b8-7+
InChIKeyNOKYWNGQHBWZAP-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

trans-1-Methoxy-3-trimethylsilyloxy-1,3-butadiene
CID 5366448
1-Methoxy-3-(trimethylsiloxy)-1,3-butadiene
CID 6436851
1-Methoxy-1-trimethylsilyloxypropene
CID 10855775
1-Methoxy-3-trimethylsilyloxy-1,3-butadiene
CID 101051
1,3-Dimethoxy-1-trimethylsiloxy-1,3-butadiene, (1E)-
CID 10867392
1-Methoxy-1,3-bis(trimethylsilyloxy)-1,3-butadiene
CID 53415030
2,2,6,6-Tetramethyl-4-(prop-2-en-1-ylidene)-3,5-dioxa-2,6-disilaheptane
CID 2733568
(4Z)-4-Methoxy-2,2,8,8-tetramethyl-6-methylene-3,7-dioxa-2,8-disilanon-4-ene
CID 11010738
tert-butyl-[(1Z)-1-ethoxybuta-1,3-dienoxy]-dimethylsilane
CID 11042502
(Z)-((1,3-Dimethoxybuta-1,3-dien-1-yl)oxy)trimethylsilane
CID 11084905
tert-butyl-[(E)-1-methoxyprop-1-enoxy]-dimethylsilane
CID 11264143
[(1E,3E)-1-methoxypenta-1,3-dienoxy]-trimethylsilane
CID 14791516

Frequently Asked Questions

What is the IUPAC name of [(1E)-1-methoxybuta-1,3-dienoxy]-trimethylsilane?
The IUPAC name of [(1E)-1-methoxybuta-1,3-dienoxy]-trimethylsilane (CID 10899145) is [(1E)-1-methoxybuta-1,3-dienoxy]-trimethylsilane.
What is the SMILES notation for [(1E)-1-methoxybuta-1,3-dienoxy]-trimethylsilane?
The canonical SMILES for [(1E)-1-methoxybuta-1,3-dienoxy]-trimethylsilane is C=C/C=C(\OC)O[Si](C)(C)C.
What is the InChIKey of [(1E)-1-methoxybuta-1,3-dienoxy]-trimethylsilane?
The InChIKey is NOKYWNGQHBWZAP-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H16O2Si/c1-6-7-8(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-dienoxy]-trimethylsilane?
[(1E)-1-methoxybuta-1,3-dienoxy]-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-dienoxy]-trimethylsilane is sourced from PubChem (CID 10899145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).