5-[tert-butyl(dimethyl)silyl]oxy-7-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)hept-2-ynoic acid

C20H34O5Si — CID 21061833

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-7-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)hept-2-ynoic acid
SMILESC=CC1OC(C)(C)OC1CCC(CC#CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34O5Si/c1-9-16-17(24-20(5,6)23-16)14-13-15(11-10-12-18(21)22)25-26(7,8)19(2,3)4/h9,15-17H,1,11,13-14H2,2-8H3,(H,21,22)
InChIKeyJDQXYWHKDGCGBN-UHFFFAOYSA-N
MW382.57 g/mol
LogP4.34
Rot. Bonds7

About 5-[tert-butyl(dimethyl)silyl]oxy-7-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)hept-2-ynoic acid

5-[tert-butyl(dimethyl)silyl]oxy-7-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)hept-2-ynoic acid (PubChem CID 21061833) has the molecular formula C20H34O5Si and a molecular weight of 382.57 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-7-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)hept-2-ynoic acid.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-7-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)hept-2-ynoic acid
PubChem CID21061833
Molecular FormulaC20H34O5Si
Molecular Weight382.57 g/mol
Exact Mass382.22
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-7-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)hept-2-ynoic acid
SMILESC=CC1OC(C)(C)OC1CCC(CC#CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34O5Si/c1-9-16-17(24-20(5,6)23-16)14-13-15(11-10-12-18(21)22)25-26(7,8)19(2,3)4/h9,15-17H,1,11,13-14H2,2-8H3,(H,21,22)
InChIKeyJDQXYWHKDGCGBN-UHFFFAOYSA-N
XLogP4.34
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[tert-butyl(dimethyl)silyl]oxy-7-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)hept-2-ynoic acid 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 5-[tert-butyl(dimethyl)silyl]oxy-7-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)hept-2-ynoic acid?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-7-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)hept-2-ynoic acid (CID 21061833) is 5-[tert-butyl(dimethyl)silyl]oxy-7-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)hept-2-ynoic acid.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-7-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)hept-2-ynoic acid?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-7-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)hept-2-ynoic acid is C=CC1OC(C)(C)OC1CCC(CC#CC(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-7-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)hept-2-ynoic acid?
The InChIKey is JDQXYWHKDGCGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O5Si/c1-9-16-17(24-20(5,6)23-16)14-13-15(11-10-12-18(21)22)25-26(7,8)19(2,3)4/h9,15-17H,1,11,13-14H2,2-8H3,(H,21,22).
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-7-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)hept-2-ynoic acid?
5-[tert-butyl(dimethyl)silyl]oxy-7-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)hept-2-ynoic acid has a molecular weight of 382.57 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-7-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)hept-2-ynoic acid is sourced from PubChem (CID 21061833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).