trimethoxy-[3-(4-methylpent-4-en-2-yloxy)propyl]silane

C12H26O4Si — CID 88723007

IUPACtrimethoxy-[3-(4-methylpent-4-en-2-yloxy)propyl]silane
SMILESC=C(C)CC(C)OCCC[Si](OC)(OC)OC
InChIInChI=1S/C12H26O4Si/c1-11(2)10-12(3)16-8-7-9-17(13-4,14-5)15-6/h12H,1,7-10H2,2-6H3
InChIKeyNEXAJTGGWYJKKY-UHFFFAOYSA-N
MW262.42 g/mol
LogP2.63
Rot. Bonds10

About trimethoxy-[3-(4-methylpent-4-en-2-yloxy)propyl]silane

trimethoxy-[3-(4-methylpent-4-en-2-yloxy)propyl]silane (PubChem CID 88723007) has the molecular formula C12H26O4Si and a molecular weight of 262.42 g/mol. Its IUPAC name is trimethoxy-[3-(4-methylpent-4-en-2-yloxy)propyl]silane.

Molecular Properties

Compound Nametrimethoxy-[3-(4-methylpent-4-en-2-yloxy)propyl]silane
PubChem CID88723007
Molecular FormulaC12H26O4Si
Molecular Weight262.42 g/mol
Exact Mass262.16
IUPAC Nametrimethoxy-[3-(4-methylpent-4-en-2-yloxy)propyl]silane
SMILESC=C(C)CC(C)OCCC[Si](OC)(OC)OC
InChIInChI=1S/C12H26O4Si/c1-11(2)10-12(3)16-8-7-9-17(13-4,14-5)15-6/h12H,1,7-10H2,2-6H3
InChIKeyNEXAJTGGWYJKKY-UHFFFAOYSA-N
XLogP2.63
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethoxy-[3-(4-methylpent-4-en-2-yloxy)propyl]silane?
The IUPAC name of trimethoxy-[3-(4-methylpent-4-en-2-yloxy)propyl]silane (CID 88723007) is trimethoxy-[3-(4-methylpent-4-en-2-yloxy)propyl]silane.
What is the SMILES notation for trimethoxy-[3-(4-methylpent-4-en-2-yloxy)propyl]silane?
The canonical SMILES for trimethoxy-[3-(4-methylpent-4-en-2-yloxy)propyl]silane is C=C(C)CC(C)OCCC[Si](OC)(OC)OC.
What is the InChIKey of trimethoxy-[3-(4-methylpent-4-en-2-yloxy)propyl]silane?
The InChIKey is NEXAJTGGWYJKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4Si/c1-11(2)10-12(3)16-8-7-9-17(13-4,14-5)15-6/h12H,1,7-10H2,2-6H3.
What are the key properties of trimethoxy-[3-(4-methylpent-4-en-2-yloxy)propyl]silane?
trimethoxy-[3-(4-methylpent-4-en-2-yloxy)propyl]silane has a molecular weight of 262.42 g/mol, XLogP of 2.63, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[3-(4-methylpent-4-en-2-yloxy)propyl]silane is sourced from PubChem (CID 88723007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).