3-[2-(2,3-dimethylbutan-2-ylsulfanyl)ethyl]oxolane

C12H24OS — CID 90882584

IUPAC3-[2-(2,3-dimethylbutan-2-ylsulfanyl)ethyl]oxolane
SMILESCC(C)C(C)(C)SCCC1CCOC1
InChIInChI=1S/C12H24OS/c1-10(2)12(3,4)14-8-6-11-5-7-13-9-11/h10-11H,5-9H2,1-4H3
InChIKeyJZTHDPNPCNYLBY-UHFFFAOYSA-N
MW216.39 g/mol
LogP3.58
Rot. Bonds5

About 3-[2-(2,3-dimethylbutan-2-ylsulfanyl)ethyl]oxolane

3-[2-(2,3-dimethylbutan-2-ylsulfanyl)ethyl]oxolane (PubChem CID 90882584) has the molecular formula C12H24OS and a molecular weight of 216.39 g/mol. Its IUPAC name is 3-[2-(2,3-dimethylbutan-2-ylsulfanyl)ethyl]oxolane.

Molecular Properties

Compound Name3-[2-(2,3-dimethylbutan-2-ylsulfanyl)ethyl]oxolane
PubChem CID90882584
Molecular FormulaC12H24OS
Molecular Weight216.39 g/mol
Exact Mass216.15
IUPAC Name3-[2-(2,3-dimethylbutan-2-ylsulfanyl)ethyl]oxolane
SMILESCC(C)C(C)(C)SCCC1CCOC1
InChIInChI=1S/C12H24OS/c1-10(2)12(3,4)14-8-6-11-5-7-13-9-11/h10-11H,5-9H2,1-4H3
InChIKeyJZTHDPNPCNYLBY-UHFFFAOYSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dimethylbutan-2-ylsulfanyl)ethyl]oxolane?
The IUPAC name of 3-[2-(2,3-dimethylbutan-2-ylsulfanyl)ethyl]oxolane (CID 90882584) is 3-[2-(2,3-dimethylbutan-2-ylsulfanyl)ethyl]oxolane.
What is the SMILES notation for 3-[2-(2,3-dimethylbutan-2-ylsulfanyl)ethyl]oxolane?
The canonical SMILES for 3-[2-(2,3-dimethylbutan-2-ylsulfanyl)ethyl]oxolane is CC(C)C(C)(C)SCCC1CCOC1.
What is the InChIKey of 3-[2-(2,3-dimethylbutan-2-ylsulfanyl)ethyl]oxolane?
The InChIKey is JZTHDPNPCNYLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OS/c1-10(2)12(3,4)14-8-6-11-5-7-13-9-11/h10-11H,5-9H2,1-4H3.
What are the key properties of 3-[2-(2,3-dimethylbutan-2-ylsulfanyl)ethyl]oxolane?
3-[2-(2,3-dimethylbutan-2-ylsulfanyl)ethyl]oxolane has a molecular weight of 216.39 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dimethylbutan-2-ylsulfanyl)ethyl]oxolane is sourced from PubChem (CID 90882584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).