1-Propargyl-1-trimethylsilyloxycyclohexane

C12H22OSi — CID 20565023

IUPACtrimethyl-(1-prop-2-ynylcyclohexyl)oxysilane
SMILESC[Si](C)(C)OC1(CCCCC1)CC#C
InChIInChI=1S/C12H22OSi/c1-5-9-12(13-14(2,3)4)10-7-6-8-11-12/h1H,6-11H2,2-4H3
InChIKeyNOIIJDZWUCYBCR-UHFFFAOYSA-N
MW210.39 g/mol
LogP—
Rot. Bonds3

About 1-Propargyl-1-trimethylsilyloxycyclohexane

1-Propargyl-1-trimethylsilyloxycyclohexane (PubChem CID 20565023) has the molecular formula C12H22OSi and a molecular weight of 210.39 g/mol. Its IUPAC name is trimethyl-(1-prop-2-ynylcyclohexyl)oxysilane.

Molecular Properties

Compound Name1-Propargyl-1-trimethylsilyloxycyclohexane
PubChem CID20565023
Molecular FormulaC12H22OSi
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Nametrimethyl-(1-prop-2-ynylcyclohexyl)oxysilane
SMILESC[Si](C)(C)OC1(CCCCC1)CC#C
InChIInChI=1S/C12H22OSi/c1-5-9-12(13-14(2,3)4)10-7-6-8-11-12/h1H,6-11H2,2-4H3
InChIKeyNOIIJDZWUCYBCR-UHFFFAOYSA-N
XLogP—
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity224

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-Propargyl-1-trimethylsilyloxycyclohexane?
The IUPAC name of 1-Propargyl-1-trimethylsilyloxycyclohexane (CID 20565023) is trimethyl-(1-prop-2-ynylcyclohexyl)oxysilane.
What is the SMILES notation for 1-Propargyl-1-trimethylsilyloxycyclohexane?
The canonical SMILES for 1-Propargyl-1-trimethylsilyloxycyclohexane is C[Si](C)(C)OC1(CCCCC1)CC#C.
What is the InChIKey of 1-Propargyl-1-trimethylsilyloxycyclohexane?
The InChIKey is NOIIJDZWUCYBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OSi/c1-5-9-12(13-14(2,3)4)10-7-6-8-11-12/h1H,6-11H2,2-4H3.
What are the key properties of 1-Propargyl-1-trimethylsilyloxycyclohexane?
1-Propargyl-1-trimethylsilyloxycyclohexane has a molecular weight of 210.39 g/mol, XLogP of not available, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Propargyl-1-trimethylsilyloxycyclohexane is sourced from PubChem (CID 20565023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).