[9-(cyclopropen-1-yl)-2,2-dimethylnonan-3-yl]oxy-dimethylsilane

C16H32OSi — CID 173066954

IUPAC[9-(cyclopropen-1-yl)-2,2-dimethylnonan-3-yl]oxy-dimethylsilane
SMILESC[SiH](C)OC(CCCCCCC1=CC1)C(C)(C)C
InChIInChI=1S/C16H32OSi/c1-16(2,3)15(17-18(4)5)11-9-7-6-8-10-14-12-13-14/h12,15,18H,6-11,13H2,1-5H3
InChIKeyLFLMYHSCQFEGFY-UHFFFAOYSA-N
MW268.52 g/mol
LogP5.07
Rot. Bonds9

About [9-(cyclopropen-1-yl)-2,2-dimethylnonan-3-yl]oxy-dimethylsilane

[9-(cyclopropen-1-yl)-2,2-dimethylnonan-3-yl]oxy-dimethylsilane (PubChem CID 173066954) has the molecular formula C16H32OSi and a molecular weight of 268.52 g/mol. Its IUPAC name is [9-(cyclopropen-1-yl)-2,2-dimethylnonan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Name[9-(cyclopropen-1-yl)-2,2-dimethylnonan-3-yl]oxy-dimethylsilane
PubChem CID173066954
Molecular FormulaC16H32OSi
Molecular Weight268.52 g/mol
Exact Mass268.22
IUPAC Name[9-(cyclopropen-1-yl)-2,2-dimethylnonan-3-yl]oxy-dimethylsilane
SMILESC[SiH](C)OC(CCCCCCC1=CC1)C(C)(C)C
InChIInChI=1S/C16H32OSi/c1-16(2,3)15(17-18(4)5)11-9-7-6-8-10-14-12-13-14/h12,15,18H,6-11,13H2,1-5H3
InChIKeyLFLMYHSCQFEGFY-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 [9-(cyclopropen-1-yl)-2,2-dimethylnonan-3-yl]oxy-dimethylsilane?
The IUPAC name of [9-(cyclopropen-1-yl)-2,2-dimethylnonan-3-yl]oxy-dimethylsilane (CID 173066954) is [9-(cyclopropen-1-yl)-2,2-dimethylnonan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for [9-(cyclopropen-1-yl)-2,2-dimethylnonan-3-yl]oxy-dimethylsilane?
The canonical SMILES for [9-(cyclopropen-1-yl)-2,2-dimethylnonan-3-yl]oxy-dimethylsilane is C[SiH](C)OC(CCCCCCC1=CC1)C(C)(C)C.
What is the InChIKey of [9-(cyclopropen-1-yl)-2,2-dimethylnonan-3-yl]oxy-dimethylsilane?
The InChIKey is LFLMYHSCQFEGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32OSi/c1-16(2,3)15(17-18(4)5)11-9-7-6-8-10-14-12-13-14/h12,15,18H,6-11,13H2,1-5H3.
What are the key properties of [9-(cyclopropen-1-yl)-2,2-dimethylnonan-3-yl]oxy-dimethylsilane?
[9-(cyclopropen-1-yl)-2,2-dimethylnonan-3-yl]oxy-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 [9-(cyclopropen-1-yl)-2,2-dimethylnonan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 173066954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).