1,1-dimethoxybut-3-enoxy-dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane

C14H28O7Si — CID 151169644

IUPAC1,1-dimethoxybut-3-enoxy-dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
SMILESC=CCC(OC)(OC)O[Si](CCCOCC1CO1)(OC)OC
InChIInChI=1S/C14H28O7Si/c1-6-8-14(15-2,16-3)21-22(17-4,18-5)10-7-9-19-11-13-12-20-13/h6,13H,1,7-12H2,2-5H3
InChIKeyNBZRCINYFOTHGC-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.56
Rot. Bonds14

About 1,1-dimethoxybut-3-enoxy-dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane

1,1-dimethoxybut-3-enoxy-dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane (PubChem CID 151169644) has the molecular formula C14H28O7Si and a molecular weight of 336.46 g/mol. Its IUPAC name is 1,1-dimethoxybut-3-enoxy-dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane.

Molecular Properties

Compound Name1,1-dimethoxybut-3-enoxy-dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
PubChem CID151169644
Molecular FormulaC14H28O7Si
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name1,1-dimethoxybut-3-enoxy-dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
SMILESC=CCC(OC)(OC)O[Si](CCCOCC1CO1)(OC)OC
InChIInChI=1S/C14H28O7Si/c1-6-8-14(15-2,16-3)21-22(17-4,18-5)10-7-9-19-11-13-12-20-13/h6,13H,1,7-12H2,2-5H3
InChIKeyNBZRCINYFOTHGC-UHFFFAOYSA-N
XLogP1.56
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1,1-dimethoxybut-3-enoxy-dimethoxy-[3-(oxiran-2-ylmethoxy)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 1,1-dimethoxybut-3-enoxy-dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?
The IUPAC name of 1,1-dimethoxybut-3-enoxy-dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane (CID 151169644) is 1,1-dimethoxybut-3-enoxy-dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane.
What is the SMILES notation for 1,1-dimethoxybut-3-enoxy-dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?
The canonical SMILES for 1,1-dimethoxybut-3-enoxy-dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane is C=CCC(OC)(OC)O[Si](CCCOCC1CO1)(OC)OC.
What is the InChIKey of 1,1-dimethoxybut-3-enoxy-dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?
The InChIKey is NBZRCINYFOTHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O7Si/c1-6-8-14(15-2,16-3)21-22(17-4,18-5)10-7-9-19-11-13-12-20-13/h6,13H,1,7-12H2,2-5H3.
What are the key properties of 1,1-dimethoxybut-3-enoxy-dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?
1,1-dimethoxybut-3-enoxy-dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane has a molecular weight of 336.46 g/mol, XLogP of 1.56, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxybut-3-enoxy-dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane is sourced from PubChem (CID 151169644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).