but-1-en-2-yl-[ethyl(dimethyl)silyl]oxy-methyl-propylsilane

C12H28OSi2 — CID 87173182

IUPACbut-1-en-2-yl-[ethyl(dimethyl)silyl]oxy-methyl-propylsilane
SMILESC=C(CC)[Si](C)(CCC)O[Si](C)(C)CC
InChIInChI=1S/C12H28OSi2/c1-8-11-15(7,12(4)9-2)13-14(5,6)10-3/h4,8-11H2,1-3,5-7H3
InChIKeyQCKOYQWKGRCOQK-UHFFFAOYSA-N
MW244.53 g/mol
LogP4.72
Rot. Bonds7

About but-1-en-2-yl-[ethyl(dimethyl)silyl]oxy-methyl-propylsilane

but-1-en-2-yl-[ethyl(dimethyl)silyl]oxy-methyl-propylsilane (PubChem CID 87173182) has the molecular formula C12H28OSi2 and a molecular weight of 244.53 g/mol. Its IUPAC name is but-1-en-2-yl-[ethyl(dimethyl)silyl]oxy-methyl-propylsilane.

Molecular Properties

Compound Namebut-1-en-2-yl-[ethyl(dimethyl)silyl]oxy-methyl-propylsilane
PubChem CID87173182
Molecular FormulaC12H28OSi2
Molecular Weight244.53 g/mol
Exact Mass244.17
IUPAC Namebut-1-en-2-yl-[ethyl(dimethyl)silyl]oxy-methyl-propylsilane
SMILESC=C(CC)[Si](C)(CCC)O[Si](C)(C)CC
InChIInChI=1S/C12H28OSi2/c1-8-11-15(7,12(4)9-2)13-14(5,6)10-3/h4,8-11H2,1-3,5-7H3
InChIKeyQCKOYQWKGRCOQK-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.53
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-1-en-2-yl-[ethyl(dimethyl)silyl]oxy-methyl-propylsilane?
The IUPAC name of but-1-en-2-yl-[ethyl(dimethyl)silyl]oxy-methyl-propylsilane (CID 87173182) is but-1-en-2-yl-[ethyl(dimethyl)silyl]oxy-methyl-propylsilane.
What is the SMILES notation for but-1-en-2-yl-[ethyl(dimethyl)silyl]oxy-methyl-propylsilane?
The canonical SMILES for but-1-en-2-yl-[ethyl(dimethyl)silyl]oxy-methyl-propylsilane is C=C(CC)[Si](C)(CCC)O[Si](C)(C)CC.
What is the InChIKey of but-1-en-2-yl-[ethyl(dimethyl)silyl]oxy-methyl-propylsilane?
The InChIKey is QCKOYQWKGRCOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28OSi2/c1-8-11-15(7,12(4)9-2)13-14(5,6)10-3/h4,8-11H2,1-3,5-7H3.
What are the key properties of but-1-en-2-yl-[ethyl(dimethyl)silyl]oxy-methyl-propylsilane?
but-1-en-2-yl-[ethyl(dimethyl)silyl]oxy-methyl-propylsilane has a molecular weight of 244.53 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-en-2-yl-[ethyl(dimethyl)silyl]oxy-methyl-propylsilane is sourced from PubChem (CID 87173182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).