trimethoxy-[3-(3-methylbut-1-enoxy)butyl]silane

C12H26O4Si — CID 91528469

IUPACtrimethoxy-[3-(3-methylbut-1-enoxy)butyl]silane
SMILESCO[Si](CCC(C)OC=CC(C)C)(OC)OC
InChIInChI=1S/C12H26O4Si/c1-11(2)7-9-16-12(3)8-10-17(13-4,14-5)15-6/h7,9,11-12H,8,10H2,1-6H3
InChIKeyQZZLTAMLQSSHPR-UHFFFAOYSA-N
MW262.42 g/mol
LogP2.83
Rot. Bonds9

About trimethoxy-[3-(3-methylbut-1-enoxy)butyl]silane

trimethoxy-[3-(3-methylbut-1-enoxy)butyl]silane (PubChem CID 91528469) has the molecular formula C12H26O4Si and a molecular weight of 262.42 g/mol. Its IUPAC name is trimethoxy-[3-(3-methylbut-1-enoxy)butyl]silane.

Molecular Properties

Compound Nametrimethoxy-[3-(3-methylbut-1-enoxy)butyl]silane
PubChem CID91528469
Molecular FormulaC12H26O4Si
Molecular Weight262.42 g/mol
Exact Mass262.16
IUPAC Nametrimethoxy-[3-(3-methylbut-1-enoxy)butyl]silane
SMILESCO[Si](CCC(C)OC=CC(C)C)(OC)OC
InChIInChI=1S/C12H26O4Si/c1-11(2)7-9-16-12(3)8-10-17(13-4,14-5)15-6/h7,9,11-12H,8,10H2,1-6H3
InChIKeyQZZLTAMLQSSHPR-UHFFFAOYSA-N
XLogP2.83
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethoxy-[3-(3-methylbut-1-enoxy)butyl]silane?
The IUPAC name of trimethoxy-[3-(3-methylbut-1-enoxy)butyl]silane (CID 91528469) is trimethoxy-[3-(3-methylbut-1-enoxy)butyl]silane.
What is the SMILES notation for trimethoxy-[3-(3-methylbut-1-enoxy)butyl]silane?
The canonical SMILES for trimethoxy-[3-(3-methylbut-1-enoxy)butyl]silane is CO[Si](CCC(C)OC=CC(C)C)(OC)OC.
What is the InChIKey of trimethoxy-[3-(3-methylbut-1-enoxy)butyl]silane?
The InChIKey is QZZLTAMLQSSHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4Si/c1-11(2)7-9-16-12(3)8-10-17(13-4,14-5)15-6/h7,9,11-12H,8,10H2,1-6H3.
What are the key properties of trimethoxy-[3-(3-methylbut-1-enoxy)butyl]silane?
trimethoxy-[3-(3-methylbut-1-enoxy)butyl]silane has a molecular weight of 262.42 g/mol, XLogP of 2.83, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[3-(3-methylbut-1-enoxy)butyl]silane is sourced from PubChem (CID 91528469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).