trimethyl-[6-(3-propyl-2,6-dioxabicyclo[2.2.2]octan-1-yl)hex-1-ynyl]silane

C18H32O2Si — CID 67795861

IUPACtrimethyl-[6-(3-propyl-2,6-dioxabicyclo[2.2.2]octan-1-yl)hex-1-ynyl]silane
SMILESCCCC1OC2(CCCCC#C[Si](C)(C)C)CCC1CO2
InChIInChI=1S/C18H32O2Si/c1-5-10-17-16-11-13-18(20-17,19-15-16)12-8-6-7-9-14-21(2,3)4/h16-17H,5-8,10-13,15H2,1-4H3
InChIKeyMPRABHVAIQLBIH-UHFFFAOYSA-N
MW308.54 g/mol
LogP4.75
Rot. Bonds6

About trimethyl-[6-(3-propyl-2,6-dioxabicyclo[2.2.2]octan-1-yl)hex-1-ynyl]silane

trimethyl-[6-(3-propyl-2,6-dioxabicyclo[2.2.2]octan-1-yl)hex-1-ynyl]silane (PubChem CID 67795861) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is trimethyl-[6-(3-propyl-2,6-dioxabicyclo[2.2.2]octan-1-yl)hex-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[6-(3-propyl-2,6-dioxabicyclo[2.2.2]octan-1-yl)hex-1-ynyl]silane
PubChem CID67795861
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Nametrimethyl-[6-(3-propyl-2,6-dioxabicyclo[2.2.2]octan-1-yl)hex-1-ynyl]silane
SMILESCCCC1OC2(CCCCC#C[Si](C)(C)C)CCC1CO2
InChIInChI=1S/C18H32O2Si/c1-5-10-17-16-11-13-18(20-17,19-15-16)12-8-6-7-9-14-21(2,3)4/h16-17H,5-8,10-13,15H2,1-4H3
InChIKeyMPRABHVAIQLBIH-UHFFFAOYSA-N
XLogP4.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.54
LogP ≤ 54.75
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[6-(3-propyl-2,6-dioxabicyclo[2.2.2]octan-1-yl)hex-1-ynyl]silane?
The IUPAC name of trimethyl-[6-(3-propyl-2,6-dioxabicyclo[2.2.2]octan-1-yl)hex-1-ynyl]silane (CID 67795861) is trimethyl-[6-(3-propyl-2,6-dioxabicyclo[2.2.2]octan-1-yl)hex-1-ynyl]silane.
What is the SMILES notation for trimethyl-[6-(3-propyl-2,6-dioxabicyclo[2.2.2]octan-1-yl)hex-1-ynyl]silane?
The canonical SMILES for trimethyl-[6-(3-propyl-2,6-dioxabicyclo[2.2.2]octan-1-yl)hex-1-ynyl]silane is CCCC1OC2(CCCCC#C[Si](C)(C)C)CCC1CO2.
What is the InChIKey of trimethyl-[6-(3-propyl-2,6-dioxabicyclo[2.2.2]octan-1-yl)hex-1-ynyl]silane?
The InChIKey is MPRABHVAIQLBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2Si/c1-5-10-17-16-11-13-18(20-17,19-15-16)12-8-6-7-9-14-21(2,3)4/h16-17H,5-8,10-13,15H2,1-4H3.
What are the key properties of trimethyl-[6-(3-propyl-2,6-dioxabicyclo[2.2.2]octan-1-yl)hex-1-ynyl]silane?
trimethyl-[6-(3-propyl-2,6-dioxabicyclo[2.2.2]octan-1-yl)hex-1-ynyl]silane has a molecular weight of 308.54 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[6-(3-propyl-2,6-dioxabicyclo[2.2.2]octan-1-yl)hex-1-ynyl]silane is sourced from PubChem (CID 67795861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).