triethyl(4-prop-1-ynylnona-1,8-dien-4-yloxy)silane

C18H32OSi — CID 11087635

IUPACtriethyl(4-prop-1-ynylnona-1,8-dien-4-yloxy)silane
SMILESC=CCCCC(C#CC)(CC=C)O[Si](CC)(CC)CC
InChIInChI=1S/C18H32OSi/c1-7-13-14-17-18(15-8-2,16-9-3)19-20(10-4,11-5)12-6/h7-8H,1-2,10-15,17H2,3-6H3
InChIKeySWFXNPHHLQROCL-UHFFFAOYSA-N
MW292.54 g/mol
LogP5.70
Rot. Bonds11

About triethyl(4-prop-1-ynylnona-1,8-dien-4-yloxy)silane

triethyl(4-prop-1-ynylnona-1,8-dien-4-yloxy)silane (PubChem CID 11087635) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is triethyl(4-prop-1-ynylnona-1,8-dien-4-yloxy)silane.

Molecular Properties

Compound Nametriethyl(4-prop-1-ynylnona-1,8-dien-4-yloxy)silane
PubChem CID11087635
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Nametriethyl(4-prop-1-ynylnona-1,8-dien-4-yloxy)silane
SMILESC=CCCCC(C#CC)(CC=C)O[Si](CC)(CC)CC
InChIInChI=1S/C18H32OSi/c1-7-13-14-17-18(15-8-2,16-9-3)19-20(10-4,11-5)12-6/h7-8H,1-2,10-15,17H2,3-6H3
InChIKeySWFXNPHHLQROCL-UHFFFAOYSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.54
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethyl(4-prop-1-ynylnona-1,8-dien-4-yloxy)silane?
The IUPAC name of triethyl(4-prop-1-ynylnona-1,8-dien-4-yloxy)silane (CID 11087635) is triethyl(4-prop-1-ynylnona-1,8-dien-4-yloxy)silane.
What is the SMILES notation for triethyl(4-prop-1-ynylnona-1,8-dien-4-yloxy)silane?
The canonical SMILES for triethyl(4-prop-1-ynylnona-1,8-dien-4-yloxy)silane is C=CCCCC(C#CC)(CC=C)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl(4-prop-1-ynylnona-1,8-dien-4-yloxy)silane?
The InChIKey is SWFXNPHHLQROCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32OSi/c1-7-13-14-17-18(15-8-2,16-9-3)19-20(10-4,11-5)12-6/h7-8H,1-2,10-15,17H2,3-6H3.
What are the key properties of triethyl(4-prop-1-ynylnona-1,8-dien-4-yloxy)silane?
triethyl(4-prop-1-ynylnona-1,8-dien-4-yloxy)silane has a molecular weight of 292.54 g/mol, XLogP of 5.70, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(4-prop-1-ynylnona-1,8-dien-4-yloxy)silane is sourced from PubChem (CID 11087635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).