tert-butyl-(4-methoxybuta-1,3-dienoxy)-dimethylsilane

C11H22O2Si — CID 173308840

IUPACtert-butyl-(4-methoxybuta-1,3-dienoxy)-dimethylsilane
SMILESCOC=CC=CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-11(2,3)14(5,6)13-10-8-7-9-12-4/h7-10H,1-6H3
InChIKeyPNBXRAQGHDHWTI-UHFFFAOYSA-N
MW214.38 g/mol
LogP3.68
Rot. Bonds4

About tert-butyl-(4-methoxybuta-1,3-dienoxy)-dimethylsilane

tert-butyl-(4-methoxybuta-1,3-dienoxy)-dimethylsilane (PubChem CID 173308840) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is tert-butyl-(4-methoxybuta-1,3-dienoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(4-methoxybuta-1,3-dienoxy)-dimethylsilane
PubChem CID173308840
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Nametert-butyl-(4-methoxybuta-1,3-dienoxy)-dimethylsilane
SMILESCOC=CC=CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-11(2,3)14(5,6)13-10-8-7-9-12-4/h7-10H,1-6H3
InChIKeyPNBXRAQGHDHWTI-UHFFFAOYSA-N
XLogP3.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.68
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

tert-butyl-dimethyl-[(1Z,3E)-octa-1,3-dienoxy]silane
CID 11615647
tert-butyl-dimethyl-[(E)-3,4,4-trimethylpent-1-enoxy]silane
CID 101149922
tert-butyl-dimethyl-[(1E,3E)-4-morpholin-4-ylbuta-1,3-dienoxy]silane
CID 101391276
tert-butyl-dimethyl-[4,4,4-tris(trimethylsilyl)but-1-enoxy]silane
CID 73443150
(Z)-2-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethylethenamine
CID 59793232
tert-butyl-[(1Z)-4-(1,3-dithian-2-ylidene)buta-1,3-dienoxy]-dimethylsilane
CID 135038240
[(1E,3E)-4-methoxybuta-1,3-dienyl]-trimethylsilane
CID 102586948
tert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enoate
CID 102348097
tert-butyl-dimethyl-(2-phenylethenoxy)silane
CID 10466833
tert-butyl-dimethyl-[(1E,3Z)-3-trimethylsilyloxypenta-1,3-dienoxy]silane
CID 101185110
tert-butyl-dimethyl-(2-phenylmethoxyethenoxy)silane
CID 10468367
tert-butyl-[(E)-1,2-dimethoxyethenoxy]-dimethylsilane
CID 15524131

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(4-methoxybuta-1,3-dienoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(4-methoxybuta-1,3-dienoxy)-dimethylsilane (CID 173308840) is tert-butyl-(4-methoxybuta-1,3-dienoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(4-methoxybuta-1,3-dienoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(4-methoxybuta-1,3-dienoxy)-dimethylsilane is COC=CC=CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(4-methoxybuta-1,3-dienoxy)-dimethylsilane?
The InChIKey is PNBXRAQGHDHWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-11(2,3)14(5,6)13-10-8-7-9-12-4/h7-10H,1-6H3.
What are the key properties of tert-butyl-(4-methoxybuta-1,3-dienoxy)-dimethylsilane?
tert-butyl-(4-methoxybuta-1,3-dienoxy)-dimethylsilane has a molecular weight of 214.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4-methoxybuta-1,3-dienoxy)-dimethylsilane is sourced from PubChem (CID 173308840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).