[1-(cyclopropen-1-yl)-8,8-dimethylnonoxy]-dimethylsilane

C16H32OSi — CID 173066951

IUPAC[1-(cyclopropen-1-yl)-8,8-dimethylnonoxy]-dimethylsilane
SMILESC[SiH](C)OC(CCCCCCC(C)(C)C)C1=CC1
InChIInChI=1S/C16H32OSi/c1-16(2,3)13-9-7-6-8-10-15(14-11-12-14)17-18(4)5/h11,15,18H,6-10,12-13H2,1-5H3
InChIKeyZKSVCGAGBJSIPQ-UHFFFAOYSA-N
MW268.52 g/mol
LogP5.07
Rot. Bonds9

About [1-(cyclopropen-1-yl)-8,8-dimethylnonoxy]-dimethylsilane

[1-(cyclopropen-1-yl)-8,8-dimethylnonoxy]-dimethylsilane (PubChem CID 173066951) has the molecular formula C16H32OSi and a molecular weight of 268.52 g/mol. Its IUPAC name is [1-(cyclopropen-1-yl)-8,8-dimethylnonoxy]-dimethylsilane.

Molecular Properties

Compound Name[1-(cyclopropen-1-yl)-8,8-dimethylnonoxy]-dimethylsilane
PubChem CID173066951
Molecular FormulaC16H32OSi
Molecular Weight268.52 g/mol
Exact Mass268.22
IUPAC Name[1-(cyclopropen-1-yl)-8,8-dimethylnonoxy]-dimethylsilane
SMILESC[SiH](C)OC(CCCCCCC(C)(C)C)C1=CC1
InChIInChI=1S/C16H32OSi/c1-16(2,3)13-9-7-6-8-10-15(14-11-12-14)17-18(4)5/h11,15,18H,6-10,12-13H2,1-5H3
InChIKeyZKSVCGAGBJSIPQ-UHFFFAOYSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.52
LogP ≤ 55.07
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'}

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropen-1-yl)-8,8-dimethylnonoxy]-dimethylsilane?
The IUPAC name of [1-(cyclopropen-1-yl)-8,8-dimethylnonoxy]-dimethylsilane (CID 173066951) is [1-(cyclopropen-1-yl)-8,8-dimethylnonoxy]-dimethylsilane.
What is the SMILES notation for [1-(cyclopropen-1-yl)-8,8-dimethylnonoxy]-dimethylsilane?
The canonical SMILES for [1-(cyclopropen-1-yl)-8,8-dimethylnonoxy]-dimethylsilane is C[SiH](C)OC(CCCCCCC(C)(C)C)C1=CC1.
What is the InChIKey of [1-(cyclopropen-1-yl)-8,8-dimethylnonoxy]-dimethylsilane?
The InChIKey is ZKSVCGAGBJSIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32OSi/c1-16(2,3)13-9-7-6-8-10-15(14-11-12-14)17-18(4)5/h11,15,18H,6-10,12-13H2,1-5H3.
What are the key properties of [1-(cyclopropen-1-yl)-8,8-dimethylnonoxy]-dimethylsilane?
[1-(cyclopropen-1-yl)-8,8-dimethylnonoxy]-dimethylsilane has a molecular weight of 268.52 g/mol, XLogP of 5.07, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropen-1-yl)-8,8-dimethylnonoxy]-dimethylsilane is sourced from PubChem (CID 173066951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).