trimethyl-[2-(8-propyl-1,4-dioxaspiro[4.5]decan-8-yl)ethynyl]silane

C16H28O2Si — CID 58388198

IUPACtrimethyl-[2-(8-propyl-1,4-dioxaspiro[4.5]decan-8-yl)ethynyl]silane
SMILESCCCC1(C#C[Si](C)(C)C)CCC2(CC1)OCCO2
InChIInChI=1S/C16H28O2Si/c1-5-6-15(11-14-19(2,3)4)7-9-16(10-8-15)17-12-13-18-16/h5-10,12-13H2,1-4H3
InChIKeyCCLLLGLHZIYZNI-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.97
Rot. Bonds2

About trimethyl-[2-(8-propyl-1,4-dioxaspiro[4.5]decan-8-yl)ethynyl]silane

trimethyl-[2-(8-propyl-1,4-dioxaspiro[4.5]decan-8-yl)ethynyl]silane (PubChem CID 58388198) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is trimethyl-[2-(8-propyl-1,4-dioxaspiro[4.5]decan-8-yl)ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-(8-propyl-1,4-dioxaspiro[4.5]decan-8-yl)ethynyl]silane
PubChem CID58388198
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Nametrimethyl-[2-(8-propyl-1,4-dioxaspiro[4.5]decan-8-yl)ethynyl]silane
SMILESCCCC1(C#C[Si](C)(C)C)CCC2(CC1)OCCO2
InChIInChI=1S/C16H28O2Si/c1-5-6-15(11-14-19(2,3)4)7-9-16(10-8-15)17-12-13-18-16/h5-10,12-13H2,1-4H3
InChIKeyCCLLLGLHZIYZNI-UHFFFAOYSA-N
XLogP3.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 trimethyl-[2-(8-propyl-1,4-dioxaspiro[4.5]decan-8-yl)ethynyl]silane?
The IUPAC name of trimethyl-[2-(8-propyl-1,4-dioxaspiro[4.5]decan-8-yl)ethynyl]silane (CID 58388198) is trimethyl-[2-(8-propyl-1,4-dioxaspiro[4.5]decan-8-yl)ethynyl]silane.
What is the SMILES notation for trimethyl-[2-(8-propyl-1,4-dioxaspiro[4.5]decan-8-yl)ethynyl]silane?
The canonical SMILES for trimethyl-[2-(8-propyl-1,4-dioxaspiro[4.5]decan-8-yl)ethynyl]silane is CCCC1(C#C[Si](C)(C)C)CCC2(CC1)OCCO2.
What is the InChIKey of trimethyl-[2-(8-propyl-1,4-dioxaspiro[4.5]decan-8-yl)ethynyl]silane?
The InChIKey is CCLLLGLHZIYZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-5-6-15(11-14-19(2,3)4)7-9-16(10-8-15)17-12-13-18-16/h5-10,12-13H2,1-4H3.
What are the key properties of trimethyl-[2-(8-propyl-1,4-dioxaspiro[4.5]decan-8-yl)ethynyl]silane?
trimethyl-[2-(8-propyl-1,4-dioxaspiro[4.5]decan-8-yl)ethynyl]silane has a molecular weight of 280.48 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(8-propyl-1,4-dioxaspiro[4.5]decan-8-yl)ethynyl]silane is sourced from PubChem (CID 58388198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).