3-(1,4-dioxaspiro[4.5]decan-8-ylmethoxy)prop-1-ynyl-triethylsilane

C18H32O3Si — CID 68628361

IUPAC3-(1,4-dioxaspiro[4.5]decan-8-ylmethoxy)prop-1-ynyl-triethylsilane
SMILESCC[Si](C#CCOCC1CCC2(CC1)OCCO2)(CC)CC
InChIInChI=1S/C18H32O3Si/c1-4-22(5-2,6-3)15-7-12-19-16-17-8-10-18(11-9-17)20-13-14-21-18/h17H,4-6,8-14,16H2,1-3H3
InChIKeyMDEXSBMVCZHGDJ-UHFFFAOYSA-N
MW324.54 g/mol
LogP3.99
Rot. Bonds6

About 3-(1,4-dioxaspiro[4.5]decan-8-ylmethoxy)prop-1-ynyl-triethylsilane

3-(1,4-dioxaspiro[4.5]decan-8-ylmethoxy)prop-1-ynyl-triethylsilane (PubChem CID 68628361) has the molecular formula C18H32O3Si and a molecular weight of 324.54 g/mol. Its IUPAC name is 3-(1,4-dioxaspiro[4.5]decan-8-ylmethoxy)prop-1-ynyl-triethylsilane.

Molecular Properties

Compound Name3-(1,4-dioxaspiro[4.5]decan-8-ylmethoxy)prop-1-ynyl-triethylsilane
PubChem CID68628361
Molecular FormulaC18H32O3Si
Molecular Weight324.54 g/mol
Exact Mass324.21
IUPAC Name3-(1,4-dioxaspiro[4.5]decan-8-ylmethoxy)prop-1-ynyl-triethylsilane
SMILESCC[Si](C#CCOCC1CCC2(CC1)OCCO2)(CC)CC
InChIInChI=1S/C18H32O3Si/c1-4-22(5-2,6-3)15-7-12-19-16-17-8-10-18(11-9-17)20-13-14-21-18/h17H,4-6,8-14,16H2,1-3H3
InChIKeyMDEXSBMVCZHGDJ-UHFFFAOYSA-N
XLogP3.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.54
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-(1,4-dioxaspiro[4.5]decan-8-ylmethoxy)prop-1-ynyl-triethylsilane?
The IUPAC name of 3-(1,4-dioxaspiro[4.5]decan-8-ylmethoxy)prop-1-ynyl-triethylsilane (CID 68628361) is 3-(1,4-dioxaspiro[4.5]decan-8-ylmethoxy)prop-1-ynyl-triethylsilane.
What is the SMILES notation for 3-(1,4-dioxaspiro[4.5]decan-8-ylmethoxy)prop-1-ynyl-triethylsilane?
The canonical SMILES for 3-(1,4-dioxaspiro[4.5]decan-8-ylmethoxy)prop-1-ynyl-triethylsilane is CC[Si](C#CCOCC1CCC2(CC1)OCCO2)(CC)CC.
What is the InChIKey of 3-(1,4-dioxaspiro[4.5]decan-8-ylmethoxy)prop-1-ynyl-triethylsilane?
The InChIKey is MDEXSBMVCZHGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3Si/c1-4-22(5-2,6-3)15-7-12-19-16-17-8-10-18(11-9-17)20-13-14-21-18/h17H,4-6,8-14,16H2,1-3H3.
What are the key properties of 3-(1,4-dioxaspiro[4.5]decan-8-ylmethoxy)prop-1-ynyl-triethylsilane?
3-(1,4-dioxaspiro[4.5]decan-8-ylmethoxy)prop-1-ynyl-triethylsilane has a molecular weight of 324.54 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxaspiro[4.5]decan-8-ylmethoxy)prop-1-ynyl-triethylsilane is sourced from PubChem (CID 68628361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).