tert-butyl-[(E,2R,5R)-5-(methoxymethoxy)oct-6-en-2-yl]oxy-dimethylsilane

C16H34O3Si — CID 149344152

IUPACtert-butyl-[(E,2R,5R)-5-(methoxymethoxy)oct-6-en-2-yl]oxy-dimethylsilane
SMILESC/C=C/[C@@H](CC[C@@H](C)O[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C16H34O3Si/c1-9-10-15(18-13-17-6)12-11-14(2)19-20(7,8)16(3,4)5/h9-10,14-15H,11-13H2,1-8H3/b10-9+/t14-,15+/m1/s1
InChIKeyYETBJRRDNZQEKA-SPZIKGKASA-N
MW302.53 g/mol
LogP4.74
Rot. Bonds9

About tert-butyl-[(E,2R,5R)-5-(methoxymethoxy)oct-6-en-2-yl]oxy-dimethylsilane

tert-butyl-[(E,2R,5R)-5-(methoxymethoxy)oct-6-en-2-yl]oxy-dimethylsilane (PubChem CID 149344152) has the molecular formula C16H34O3Si and a molecular weight of 302.53 g/mol. Its IUPAC name is tert-butyl-[(E,2R,5R)-5-(methoxymethoxy)oct-6-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,2R,5R)-5-(methoxymethoxy)oct-6-en-2-yl]oxy-dimethylsilane
PubChem CID149344152
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Nametert-butyl-[(E,2R,5R)-5-(methoxymethoxy)oct-6-en-2-yl]oxy-dimethylsilane
SMILESC/C=C/[C@@H](CC[C@@H](C)O[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C16H34O3Si/c1-9-10-15(18-13-17-6)12-11-14(2)19-20(7,8)16(3,4)5/h9-10,14-15H,11-13H2,1-8H3/b10-9+/t14-,15+/m1/s1
InChIKeyYETBJRRDNZQEKA-SPZIKGKASA-N
XLogP4.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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'}

Analyze tert-butyl-[(E,2R,5R)-5-(methoxymethoxy)oct-6-en-2-yl]oxy-dimethylsilane 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 tert-butyl-[(E,2R,5R)-5-(methoxymethoxy)oct-6-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,2R,5R)-5-(methoxymethoxy)oct-6-en-2-yl]oxy-dimethylsilane (CID 149344152) is tert-butyl-[(E,2R,5R)-5-(methoxymethoxy)oct-6-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,2R,5R)-5-(methoxymethoxy)oct-6-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,2R,5R)-5-(methoxymethoxy)oct-6-en-2-yl]oxy-dimethylsilane is C/C=C/[C@@H](CC[C@@H](C)O[Si](C)(C)C(C)(C)C)OCOC.
What is the InChIKey of tert-butyl-[(E,2R,5R)-5-(methoxymethoxy)oct-6-en-2-yl]oxy-dimethylsilane?
The InChIKey is YETBJRRDNZQEKA-SPZIKGKASA-N. The full InChI is InChI=1S/C16H34O3Si/c1-9-10-15(18-13-17-6)12-11-14(2)19-20(7,8)16(3,4)5/h9-10,14-15H,11-13H2,1-8H3/b10-9+/t14-,15+/m1/s1.
What are the key properties of tert-butyl-[(E,2R,5R)-5-(methoxymethoxy)oct-6-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(E,2R,5R)-5-(methoxymethoxy)oct-6-en-2-yl]oxy-dimethylsilane has a molecular weight of 302.53 g/mol, XLogP of 4.74, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,2R,5R)-5-(methoxymethoxy)oct-6-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 149344152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).