triethoxy-[1-(3-methylbut-3-en-2-yloxy)propyl]silane

C14H30O4Si — CID 87403751

IUPACtriethoxy-[1-(3-methylbut-3-en-2-yloxy)propyl]silane
SMILESC=C(C)C(C)OC(CC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H30O4Si/c1-8-14(18-13(7)12(5)6)19(15-9-2,16-10-3)17-11-4/h13-14H,5,8-11H2,1-4,6-7H3
InChIKeyKHUKHKSYYGOUAG-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.33
Rot. Bonds11

About triethoxy-[1-(3-methylbut-3-en-2-yloxy)propyl]silane

triethoxy-[1-(3-methylbut-3-en-2-yloxy)propyl]silane (PubChem CID 87403751) has the molecular formula C14H30O4Si and a molecular weight of 290.48 g/mol. Its IUPAC name is triethoxy-[1-(3-methylbut-3-en-2-yloxy)propyl]silane.

Molecular Properties

Compound Nametriethoxy-[1-(3-methylbut-3-en-2-yloxy)propyl]silane
PubChem CID87403751
Molecular FormulaC14H30O4Si
Molecular Weight290.48 g/mol
Exact Mass290.19
IUPAC Nametriethoxy-[1-(3-methylbut-3-en-2-yloxy)propyl]silane
SMILESC=C(C)C(C)OC(CC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H30O4Si/c1-8-14(18-13(7)12(5)6)19(15-9-2,16-10-3)17-11-4/h13-14H,5,8-11H2,1-4,6-7H3
InChIKeyKHUKHKSYYGOUAG-UHFFFAOYSA-N
XLogP3.33
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze triethoxy-[1-(3-methylbut-3-en-2-yloxy)propyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of triethoxy-[1-(3-methylbut-3-en-2-yloxy)propyl]silane?
The IUPAC name of triethoxy-[1-(3-methylbut-3-en-2-yloxy)propyl]silane (CID 87403751) is triethoxy-[1-(3-methylbut-3-en-2-yloxy)propyl]silane.
What is the SMILES notation for triethoxy-[1-(3-methylbut-3-en-2-yloxy)propyl]silane?
The canonical SMILES for triethoxy-[1-(3-methylbut-3-en-2-yloxy)propyl]silane is C=C(C)C(C)OC(CC)[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy-[1-(3-methylbut-3-en-2-yloxy)propyl]silane?
The InChIKey is KHUKHKSYYGOUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4Si/c1-8-14(18-13(7)12(5)6)19(15-9-2,16-10-3)17-11-4/h13-14H,5,8-11H2,1-4,6-7H3.
What are the key properties of triethoxy-[1-(3-methylbut-3-en-2-yloxy)propyl]silane?
triethoxy-[1-(3-methylbut-3-en-2-yloxy)propyl]silane has a molecular weight of 290.48 g/mol, XLogP of 3.33, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[1-(3-methylbut-3-en-2-yloxy)propyl]silane is sourced from PubChem (CID 87403751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).