2-(2-propan-2-ylsulfanylethyl)oxolane

C9H18OS — CID 126487294

IUPAC2-(2-propan-2-ylsulfanylethyl)oxolane
SMILESCC(C)SCCC1CCCO1
InChIInChI=1S/C9H18OS/c1-8(2)11-7-5-9-4-3-6-10-9/h8-9H,3-7H2,1-2H3
InChIKeyOQVLUEWOJLNMOP-UHFFFAOYSA-N
MW174.31 g/mol
LogP2.70
Rot. Bonds4

About 2-(2-propan-2-ylsulfanylethyl)oxolane

2-(2-propan-2-ylsulfanylethyl)oxolane (PubChem CID 126487294) has the molecular formula C9H18OS and a molecular weight of 174.31 g/mol. Its IUPAC name is 2-(2-propan-2-ylsulfanylethyl)oxolane.

Molecular Properties

Compound Name2-(2-propan-2-ylsulfanylethyl)oxolane
PubChem CID126487294
Molecular FormulaC9H18OS
Molecular Weight174.31 g/mol
Exact Mass174.11
IUPAC Name2-(2-propan-2-ylsulfanylethyl)oxolane
SMILESCC(C)SCCC1CCCO1
InChIInChI=1S/C9H18OS/c1-8(2)11-7-5-9-4-3-6-10-9/h8-9H,3-7H2,1-2H3
InChIKeyOQVLUEWOJLNMOP-UHFFFAOYSA-N
XLogP2.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylsulfanylethyl)oxolane?
The IUPAC name of 2-(2-propan-2-ylsulfanylethyl)oxolane (CID 126487294) is 2-(2-propan-2-ylsulfanylethyl)oxolane.
What is the SMILES notation for 2-(2-propan-2-ylsulfanylethyl)oxolane?
The canonical SMILES for 2-(2-propan-2-ylsulfanylethyl)oxolane is CC(C)SCCC1CCCO1.
What is the InChIKey of 2-(2-propan-2-ylsulfanylethyl)oxolane?
The InChIKey is OQVLUEWOJLNMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OS/c1-8(2)11-7-5-9-4-3-6-10-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(2-propan-2-ylsulfanylethyl)oxolane?
2-(2-propan-2-ylsulfanylethyl)oxolane has a molecular weight of 174.31 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylsulfanylethyl)oxolane is sourced from PubChem (CID 126487294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).