2-(1,4-dioxaspiro[4.5]decan-3-ylmethylsulfanyl)ethyl-trimethylsilane

C14H28O2SSi — CID 165481202

IUPAC2-(1,4-dioxaspiro[4.5]decan-3-ylmethylsulfanyl)ethyl-trimethylsilane
SMILESC[Si](C)(C)CCSCC1COC2(CCCCC2)O1
InChIInChI=1S/C14H28O2SSi/c1-18(2,3)10-9-17-12-13-11-15-14(16-13)7-5-4-6-8-14/h13H,4-12H2,1-3H3
InChIKeyZPXRVTPEZSROOE-UHFFFAOYSA-N
MW288.53 g/mol
LogP4.13
Rot. Bonds5

About 2-(1,4-dioxaspiro[4.5]decan-3-ylmethylsulfanyl)ethyl-trimethylsilane

2-(1,4-dioxaspiro[4.5]decan-3-ylmethylsulfanyl)ethyl-trimethylsilane (PubChem CID 165481202) has the molecular formula C14H28O2SSi and a molecular weight of 288.53 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-3-ylmethylsulfanyl)ethyl-trimethylsilane.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-3-ylmethylsulfanyl)ethyl-trimethylsilane
PubChem CID165481202
Molecular FormulaC14H28O2SSi
Molecular Weight288.53 g/mol
Exact Mass288.16
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-3-ylmethylsulfanyl)ethyl-trimethylsilane
SMILESC[Si](C)(C)CCSCC1COC2(CCCCC2)O1
InChIInChI=1S/C14H28O2SSi/c1-18(2,3)10-9-17-12-13-11-15-14(16-13)7-5-4-6-8-14/h13H,4-12H2,1-3H3
InChIKeyZPXRVTPEZSROOE-UHFFFAOYSA-N
XLogP4.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.53
LogP ≤ 54.13
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-3-ylmethylsulfanyl)ethyl-trimethylsilane?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-3-ylmethylsulfanyl)ethyl-trimethylsilane (CID 165481202) is 2-(1,4-dioxaspiro[4.5]decan-3-ylmethylsulfanyl)ethyl-trimethylsilane.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-3-ylmethylsulfanyl)ethyl-trimethylsilane?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-3-ylmethylsulfanyl)ethyl-trimethylsilane is C[Si](C)(C)CCSCC1COC2(CCCCC2)O1.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-3-ylmethylsulfanyl)ethyl-trimethylsilane?
The InChIKey is ZPXRVTPEZSROOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2SSi/c1-18(2,3)10-9-17-12-13-11-15-14(16-13)7-5-4-6-8-14/h13H,4-12H2,1-3H3.
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-3-ylmethylsulfanyl)ethyl-trimethylsilane?
2-(1,4-dioxaspiro[4.5]decan-3-ylmethylsulfanyl)ethyl-trimethylsilane has a molecular weight of 288.53 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]decan-3-ylmethylsulfanyl)ethyl-trimethylsilane is sourced from PubChem (CID 165481202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).