3-(propan-2-ylsulfanylmethyl)oxolane

C8H16OS — CID 126994416

IUPAC3-(propan-2-ylsulfanylmethyl)oxolane
SMILESCC(C)SCC1CCOC1
InChIInChI=1S/C8H16OS/c1-7(2)10-6-8-3-4-9-5-8/h7-8H,3-6H2,1-2H3
InChIKeyNMKYTVXFBYKNEW-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.16
Rot. Bonds3

About 3-(propan-2-ylsulfanylmethyl)oxolane

3-(propan-2-ylsulfanylmethyl)oxolane (PubChem CID 126994416) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 3-(propan-2-ylsulfanylmethyl)oxolane.

Molecular Properties

Compound Name3-(propan-2-ylsulfanylmethyl)oxolane
PubChem CID126994416
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name3-(propan-2-ylsulfanylmethyl)oxolane
SMILESCC(C)SCC1CCOC1
InChIInChI=1S/C8H16OS/c1-7(2)10-6-8-3-4-9-5-8/h7-8H,3-6H2,1-2H3
InChIKeyNMKYTVXFBYKNEW-UHFFFAOYSA-N
XLogP2.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Oxathiane, 2-ethyl-4,4-dimethyl-
CID 18539814
2-(1-Methylethyl)-1,3-oxathiolane
CID 28673
2-Methyl-2-propan-2-yl-1,3-oxathiolane
CID 568480
1,3-Oxathiolane, 2,2-diisopropyl-
CID 27656
2-Isobutyl-1,3-oxothiolane
CID 529631
(2S,3S,4S)-2-(butoxymethyl)-4-fluoro-3-methylthiolane
CID 71182265
Dimethyl[(1-propyldodecyl)oxy]vinylsilane
CID 529633
2,5-Diisopropyl-1,3-oxathiane
CID 557698
1-[1-(2-Methylpropoxy)ethylsulfanyl]butane
CID 102336795
2-Butyl-4-methyl-1,3-oxathiolane
CID 129801113
4-Methyl-2-propan-2-yl-1,3-oxathiolane
CID 142260
1,3-Oxathiane, 5-isopropyl-2-methyl-
CID 557922

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylsulfanylmethyl)oxolane?
The IUPAC name of 3-(propan-2-ylsulfanylmethyl)oxolane (CID 126994416) is 3-(propan-2-ylsulfanylmethyl)oxolane.
What is the SMILES notation for 3-(propan-2-ylsulfanylmethyl)oxolane?
The canonical SMILES for 3-(propan-2-ylsulfanylmethyl)oxolane is CC(C)SCC1CCOC1.
What is the InChIKey of 3-(propan-2-ylsulfanylmethyl)oxolane?
The InChIKey is NMKYTVXFBYKNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-7(2)10-6-8-3-4-9-5-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-(propan-2-ylsulfanylmethyl)oxolane?
3-(propan-2-ylsulfanylmethyl)oxolane has a molecular weight of 160.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylsulfanylmethyl)oxolane is sourced from PubChem (CID 126994416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).