2-butyl-1,1,2-trimethoxy-3-prop-2-enoxysilinane

C15H30O4Si — CID 174537889

IUPAC2-butyl-1,1,2-trimethoxy-3-prop-2-enoxysilinane
SMILESC=CCOC1CCC[Si](OC)(OC)C1(CCCC)OC
InChIInChI=1S/C15H30O4Si/c1-6-8-11-15(16-3)14(19-12-7-2)10-9-13-20(15,17-4)18-5/h7,14H,2,6,8-13H2,1,3-5H3
InChIKeyWAJQXRSFUOJXKS-UHFFFAOYSA-N
MW302.49 g/mol
LogP3.20
Rot. Bonds9

About 2-butyl-1,1,2-trimethoxy-3-prop-2-enoxysilinane

2-butyl-1,1,2-trimethoxy-3-prop-2-enoxysilinane (PubChem CID 174537889) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is 2-butyl-1,1,2-trimethoxy-3-prop-2-enoxysilinane.

Molecular Properties

Compound Name2-butyl-1,1,2-trimethoxy-3-prop-2-enoxysilinane
PubChem CID174537889
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name2-butyl-1,1,2-trimethoxy-3-prop-2-enoxysilinane
SMILESC=CCOC1CCC[Si](OC)(OC)C1(CCCC)OC
InChIInChI=1S/C15H30O4Si/c1-6-8-11-15(16-3)14(19-12-7-2)10-9-13-20(15,17-4)18-5/h7,14H,2,6,8-13H2,1,3-5H3
InChIKeyWAJQXRSFUOJXKS-UHFFFAOYSA-N
XLogP3.20
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.20
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 2-butyl-1,1,2-trimethoxy-3-prop-2-enoxysilinane 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 2-butyl-1,1,2-trimethoxy-3-prop-2-enoxysilinane?
The IUPAC name of 2-butyl-1,1,2-trimethoxy-3-prop-2-enoxysilinane (CID 174537889) is 2-butyl-1,1,2-trimethoxy-3-prop-2-enoxysilinane.
What is the SMILES notation for 2-butyl-1,1,2-trimethoxy-3-prop-2-enoxysilinane?
The canonical SMILES for 2-butyl-1,1,2-trimethoxy-3-prop-2-enoxysilinane is C=CCOC1CCC[Si](OC)(OC)C1(CCCC)OC.
What is the InChIKey of 2-butyl-1,1,2-trimethoxy-3-prop-2-enoxysilinane?
The InChIKey is WAJQXRSFUOJXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-6-8-11-15(16-3)14(19-12-7-2)10-9-13-20(15,17-4)18-5/h7,14H,2,6,8-13H2,1,3-5H3.
What are the key properties of 2-butyl-1,1,2-trimethoxy-3-prop-2-enoxysilinane?
2-butyl-1,1,2-trimethoxy-3-prop-2-enoxysilinane has a molecular weight of 302.49 g/mol, XLogP of 3.20, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,1,2-trimethoxy-3-prop-2-enoxysilinane is sourced from PubChem (CID 174537889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).