2-(3-methylbutan-2-ylsulfanyl)oxolane

C9H18OS — CID 130677404

IUPAC2-(3-methylbutan-2-ylsulfanyl)oxolane
SMILESCC(C)C(C)SC1CCCO1
InChIInChI=1S/C9H18OS/c1-7(2)8(3)11-9-5-4-6-10-9/h7-9H,4-6H2,1-3H3
InChIKeyBIOFKXARKGMWMS-UHFFFAOYSA-N
MW174.31 g/mol
LogP2.90
Rot. Bonds3

About 2-(3-methylbutan-2-ylsulfanyl)oxolane

2-(3-methylbutan-2-ylsulfanyl)oxolane (PubChem CID 130677404) has the molecular formula C9H18OS and a molecular weight of 174.31 g/mol. Its IUPAC name is 2-(3-methylbutan-2-ylsulfanyl)oxolane.

Molecular Properties

Compound Name2-(3-methylbutan-2-ylsulfanyl)oxolane
PubChem CID130677404
Molecular FormulaC9H18OS
Molecular Weight174.31 g/mol
Exact Mass174.11
IUPAC Name2-(3-methylbutan-2-ylsulfanyl)oxolane
SMILESCC(C)C(C)SC1CCCO1
InChIInChI=1S/C9H18OS/c1-7(2)8(3)11-9-5-4-6-10-9/h7-9H,4-6H2,1-3H3
InChIKeyBIOFKXARKGMWMS-UHFFFAOYSA-N
XLogP2.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.90
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 2-(3-methylbutan-2-ylsulfanyl)oxolane?
The IUPAC name of 2-(3-methylbutan-2-ylsulfanyl)oxolane (CID 130677404) is 2-(3-methylbutan-2-ylsulfanyl)oxolane.
What is the SMILES notation for 2-(3-methylbutan-2-ylsulfanyl)oxolane?
The canonical SMILES for 2-(3-methylbutan-2-ylsulfanyl)oxolane is CC(C)C(C)SC1CCCO1.
What is the InChIKey of 2-(3-methylbutan-2-ylsulfanyl)oxolane?
The InChIKey is BIOFKXARKGMWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OS/c1-7(2)8(3)11-9-5-4-6-10-9/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-(3-methylbutan-2-ylsulfanyl)oxolane?
2-(3-methylbutan-2-ylsulfanyl)oxolane has a molecular weight of 174.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-ylsulfanyl)oxolane is sourced from PubChem (CID 130677404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).