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

C18H32O3Si — CID 46221969

IUPACtert-butyl-[3-(1,4-dioxaspiro[4.5]decan-8-ylmethoxy)prop-1-ynyl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C#CCOCC1CCC2(CC1)OCCO2
InChIInChI=1S/C18H32O3Si/c1-17(2,3)22(4,5)14-6-11-19-15-16-7-9-18(10-8-16)20-12-13-21-18/h16H,7-13,15H2,1-5H3
InChIKeySXTXEUNHHASHKM-UHFFFAOYSA-N
MW324.54 g/mol
LogP3.99
Rot. Bonds3

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

tert-butyl-[3-(1,4-dioxaspiro[4.5]decan-8-ylmethoxy)prop-1-ynyl]-dimethylsilane (PubChem CID 46221969) has the molecular formula C18H32O3Si and a molecular weight of 324.54 g/mol. Its IUPAC name is tert-butyl-[3-(1,4-dioxaspiro[4.5]decan-8-ylmethoxy)prop-1-ynyl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-(1,4-dioxaspiro[4.5]decan-8-ylmethoxy)prop-1-ynyl]-dimethylsilane
PubChem CID46221969
Molecular FormulaC18H32O3Si
Molecular Weight324.54 g/mol
Exact Mass324.21
IUPAC Nametert-butyl-[3-(1,4-dioxaspiro[4.5]decan-8-ylmethoxy)prop-1-ynyl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C#CCOCC1CCC2(CC1)OCCO2
InChIInChI=1S/C18H32O3Si/c1-17(2,3)22(4,5)14-6-11-19-15-16-7-9-18(10-8-16)20-12-13-21-18/h16H,7-13,15H2,1-5H3
InChIKeySXTXEUNHHASHKM-UHFFFAOYSA-N
XLogP3.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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 tert-butyl-[3-(1,4-dioxaspiro[4.5]decan-8-ylmethoxy)prop-1-ynyl]-dimethylsilane?
The IUPAC name of tert-butyl-[3-(1,4-dioxaspiro[4.5]decan-8-ylmethoxy)prop-1-ynyl]-dimethylsilane (CID 46221969) is tert-butyl-[3-(1,4-dioxaspiro[4.5]decan-8-ylmethoxy)prop-1-ynyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-(1,4-dioxaspiro[4.5]decan-8-ylmethoxy)prop-1-ynyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-(1,4-dioxaspiro[4.5]decan-8-ylmethoxy)prop-1-ynyl]-dimethylsilane is CC(C)(C)[Si](C)(C)C#CCOCC1CCC2(CC1)OCCO2.
What is the InChIKey of tert-butyl-[3-(1,4-dioxaspiro[4.5]decan-8-ylmethoxy)prop-1-ynyl]-dimethylsilane?
The InChIKey is SXTXEUNHHASHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3Si/c1-17(2,3)22(4,5)14-6-11-19-15-16-7-9-18(10-8-16)20-12-13-21-18/h16H,7-13,15H2,1-5H3.
What are the key properties of tert-butyl-[3-(1,4-dioxaspiro[4.5]decan-8-ylmethoxy)prop-1-ynyl]-dimethylsilane?
tert-butyl-[3-(1,4-dioxaspiro[4.5]decan-8-ylmethoxy)prop-1-ynyl]-dimethylsilane has a molecular weight of 324.54 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(1,4-dioxaspiro[4.5]decan-8-ylmethoxy)prop-1-ynyl]-dimethylsilane is sourced from PubChem (CID 46221969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).