8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-yloxy-trimethylsilane

C20H32O2Si — CID 91696748

IUPAC8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-yloxy-trimethylsilane
SMILESC=CC(C#CC#CCC1OC1CCCCCCC)O[Si](C)(C)C
InChIInChI=1S/C20H32O2Si/c1-6-8-9-10-13-16-19-20(21-19)17-14-11-12-15-18(7-2)22-23(3,4)5/h7,18-20H,2,6,8-10,13,16-17H2,1,3-5H3
InChIKeyALSRNWWLYNJWOP-UHFFFAOYSA-N
MW332.56 g/mol
LogP4.92
Rot. Bonds10

About 8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-yloxy-trimethylsilane

8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-yloxy-trimethylsilane (PubChem CID 91696748) has the molecular formula C20H32O2Si and a molecular weight of 332.56 g/mol. Its IUPAC name is 8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-yloxy-trimethylsilane.

Molecular Properties

Compound Name8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-yloxy-trimethylsilane
PubChem CID91696748
Molecular FormulaC20H32O2Si
Molecular Weight332.56 g/mol
Exact Mass332.22
IUPAC Name8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-yloxy-trimethylsilane
SMILESC=CC(C#CC#CCC1OC1CCCCCCC)O[Si](C)(C)C
InChIInChI=1S/C20H32O2Si/c1-6-8-9-10-13-16-19-20(21-19)17-14-11-12-15-18(7-2)22-23(3,4)5/h7,18-20H,2,6,8-10,13,16-17H2,1,3-5H3
InChIKeyALSRNWWLYNJWOP-UHFFFAOYSA-N
XLogP4.92
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.56
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-yloxy-trimethylsilane?
The IUPAC name of 8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-yloxy-trimethylsilane (CID 91696748) is 8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-yloxy-trimethylsilane.
What is the SMILES notation for 8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-yloxy-trimethylsilane?
The canonical SMILES for 8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-yloxy-trimethylsilane is C=CC(C#CC#CCC1OC1CCCCCCC)O[Si](C)(C)C.
What is the InChIKey of 8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-yloxy-trimethylsilane?
The InChIKey is ALSRNWWLYNJWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2Si/c1-6-8-9-10-13-16-19-20(21-19)17-14-11-12-15-18(7-2)22-23(3,4)5/h7,18-20H,2,6,8-10,13,16-17H2,1,3-5H3.
What are the key properties of 8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-yloxy-trimethylsilane?
8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-yloxy-trimethylsilane has a molecular weight of 332.56 g/mol, XLogP of 4.92, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-yloxy-trimethylsilane is sourced from PubChem (CID 91696748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).