3,3,4-tris(trimethylsilyloxy)pent-1-en-2-yl carbamate

C15H35NO5Si3 — CID 89306025

IUPAC3,3,4-tris(trimethylsilyloxy)pent-1-en-2-yl carbamate
SMILESC=C(OC(N)=O)C(O[Si](C)(C)C)(O[Si](C)(C)C)C(C)O[Si](C)(C)C
InChIInChI=1S/C15H35NO5Si3/c1-12(18-14(16)17)15(20-23(6,7)8,21-24(9,10)11)13(2)19-22(3,4)5/h13H,1H2,2-11H3,(H2,16,17)
InChIKeyFNWMGFMMURXNJE-UHFFFAOYSA-N
MW393.71 g/mol
LogP4.23
Rot. Bonds9

About 3,3,4-tris(trimethylsilyloxy)pent-1-en-2-yl carbamate

3,3,4-tris(trimethylsilyloxy)pent-1-en-2-yl carbamate (PubChem CID 89306025) has the molecular formula C15H35NO5Si3 and a molecular weight of 393.71 g/mol. Its IUPAC name is 3,3,4-tris(trimethylsilyloxy)pent-1-en-2-yl carbamate.

Molecular Properties

Compound Name3,3,4-tris(trimethylsilyloxy)pent-1-en-2-yl carbamate
PubChem CID89306025
Molecular FormulaC15H35NO5Si3
Molecular Weight393.71 g/mol
Exact Mass393.18
IUPAC Name3,3,4-tris(trimethylsilyloxy)pent-1-en-2-yl carbamate
SMILESC=C(OC(N)=O)C(O[Si](C)(C)C)(O[Si](C)(C)C)C(C)O[Si](C)(C)C
InChIInChI=1S/C15H35NO5Si3/c1-12(18-14(16)17)15(20-23(6,7)8,21-24(9,10)11)13(2)19-22(3,4)5/h13H,1H2,2-11H3,(H2,16,17)
InChIKeyFNWMGFMMURXNJE-UHFFFAOYSA-N
XLogP4.23
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.71
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,3,4-tris(trimethylsilyloxy)pent-1-en-2-yl carbamate 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 3,3,4-tris(trimethylsilyloxy)pent-1-en-2-yl carbamate?
The IUPAC name of 3,3,4-tris(trimethylsilyloxy)pent-1-en-2-yl carbamate (CID 89306025) is 3,3,4-tris(trimethylsilyloxy)pent-1-en-2-yl carbamate.
What is the SMILES notation for 3,3,4-tris(trimethylsilyloxy)pent-1-en-2-yl carbamate?
The canonical SMILES for 3,3,4-tris(trimethylsilyloxy)pent-1-en-2-yl carbamate is C=C(OC(N)=O)C(O[Si](C)(C)C)(O[Si](C)(C)C)C(C)O[Si](C)(C)C.
What is the InChIKey of 3,3,4-tris(trimethylsilyloxy)pent-1-en-2-yl carbamate?
The InChIKey is FNWMGFMMURXNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35NO5Si3/c1-12(18-14(16)17)15(20-23(6,7)8,21-24(9,10)11)13(2)19-22(3,4)5/h13H,1H2,2-11H3,(H2,16,17).
What are the key properties of 3,3,4-tris(trimethylsilyloxy)pent-1-en-2-yl carbamate?
3,3,4-tris(trimethylsilyloxy)pent-1-en-2-yl carbamate has a molecular weight of 393.71 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-tris(trimethylsilyloxy)pent-1-en-2-yl carbamate is sourced from PubChem (CID 89306025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).