(3S)-3-(2-tert-butylsulfanylethyl)oxolane

C10H20OS — CID 143964770

IUPAC(3S)-3-(2-tert-butylsulfanylethyl)oxolane
SMILESCC(C)(C)SCC[C@@H]1CCOC1
InChIInChI=1S/C10H20OS/c1-10(2,3)12-7-5-9-4-6-11-8-9/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyPZEZUIHLSDQGEO-VIFPVBQESA-N
MW188.34 g/mol
LogP2.94
Rot. Bonds3

About (3S)-3-(2-tert-butylsulfanylethyl)oxolane

(3S)-3-(2-tert-butylsulfanylethyl)oxolane (PubChem CID 143964770) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is (3S)-3-(2-tert-butylsulfanylethyl)oxolane.

Molecular Properties

Compound Name(3S)-3-(2-tert-butylsulfanylethyl)oxolane
PubChem CID143964770
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name(3S)-3-(2-tert-butylsulfanylethyl)oxolane
SMILESCC(C)(C)SCC[C@@H]1CCOC1
InChIInChI=1S/C10H20OS/c1-10(2,3)12-7-5-9-4-6-11-8-9/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyPZEZUIHLSDQGEO-VIFPVBQESA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-tert-butylsulfanylethyl)oxolane?
The IUPAC name of (3S)-3-(2-tert-butylsulfanylethyl)oxolane (CID 143964770) is (3S)-3-(2-tert-butylsulfanylethyl)oxolane.
What is the SMILES notation for (3S)-3-(2-tert-butylsulfanylethyl)oxolane?
The canonical SMILES for (3S)-3-(2-tert-butylsulfanylethyl)oxolane is CC(C)(C)SCC[C@@H]1CCOC1.
What is the InChIKey of (3S)-3-(2-tert-butylsulfanylethyl)oxolane?
The InChIKey is PZEZUIHLSDQGEO-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20OS/c1-10(2,3)12-7-5-9-4-6-11-8-9/h9H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of (3S)-3-(2-tert-butylsulfanylethyl)oxolane?
(3S)-3-(2-tert-butylsulfanylethyl)oxolane has a molecular weight of 188.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-tert-butylsulfanylethyl)oxolane is sourced from PubChem (CID 143964770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).