2-(2,3-dimethylbutan-2-ylsulfanylmethyl)oxane

C12H24OS — CID 90863701

IUPAC2-(2,3-dimethylbutan-2-ylsulfanylmethyl)oxane
SMILESCC(C)C(C)(C)SCC1CCCCO1
InChIInChI=1S/C12H24OS/c1-10(2)12(3,4)14-9-11-7-5-6-8-13-11/h10-11H,5-9H2,1-4H3
InChIKeyOPZMQSLEZYEQID-UHFFFAOYSA-N
MW216.39 g/mol
LogP3.72
Rot. Bonds4

About 2-(2,3-dimethylbutan-2-ylsulfanylmethyl)oxane

2-(2,3-dimethylbutan-2-ylsulfanylmethyl)oxane (PubChem CID 90863701) has the molecular formula C12H24OS and a molecular weight of 216.39 g/mol. Its IUPAC name is 2-(2,3-dimethylbutan-2-ylsulfanylmethyl)oxane.

Molecular Properties

Compound Name2-(2,3-dimethylbutan-2-ylsulfanylmethyl)oxane
PubChem CID90863701
Molecular FormulaC12H24OS
Molecular Weight216.39 g/mol
Exact Mass216.15
IUPAC Name2-(2,3-dimethylbutan-2-ylsulfanylmethyl)oxane
SMILESCC(C)C(C)(C)SCC1CCCCO1
InChIInChI=1S/C12H24OS/c1-10(2)12(3,4)14-9-11-7-5-6-8-13-11/h10-11H,5-9H2,1-4H3
InChIKeyOPZMQSLEZYEQID-UHFFFAOYSA-N
XLogP3.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cis-2-Methyl-4-propyl-1,3-oxathiane
CID 101010
2-Methyl-4-propyl-1,3-oxathiane, trans-
CID 6931726
2-Pentyl-4-propyl-1,3-oxathiane
CID 20514321
(2R,4S)-2-methyl-4-propyl-1,3-oxathiane
CID 6931725
1,3-Oxathiane, 2-methyl-4-propyl-, (2R,4S)-rel-
CID 6931728
trans-2-Methyl-4-n-propyl-1,3-oxathiane
CID 6931727
(3S,6R)-5-fluoro-2,3,4-trimethyl-6-methylsulfanyloxane
CID 54472325
(3S)-5-fluoro-2,3,4-trimethyl-6-methylsulfanyloxane
CID 54472326
2,5-Diisopropyl-1,3-oxathiane
CID 557698
2,2-Dimethyl-4-propyl-1,3-oxathiane
CID 560097
2-Isopropyl-2,6-dimethyl-1,3-oxathiane
CID 539489
2,2,5,6-Tetramethyl-1,3-oxathiane
CID 550352

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbutan-2-ylsulfanylmethyl)oxane?
The IUPAC name of 2-(2,3-dimethylbutan-2-ylsulfanylmethyl)oxane (CID 90863701) is 2-(2,3-dimethylbutan-2-ylsulfanylmethyl)oxane.
What is the SMILES notation for 2-(2,3-dimethylbutan-2-ylsulfanylmethyl)oxane?
The canonical SMILES for 2-(2,3-dimethylbutan-2-ylsulfanylmethyl)oxane is CC(C)C(C)(C)SCC1CCCCO1.
What is the InChIKey of 2-(2,3-dimethylbutan-2-ylsulfanylmethyl)oxane?
The InChIKey is OPZMQSLEZYEQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OS/c1-10(2)12(3,4)14-9-11-7-5-6-8-13-11/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-(2,3-dimethylbutan-2-ylsulfanylmethyl)oxane?
2-(2,3-dimethylbutan-2-ylsulfanylmethyl)oxane has a molecular weight of 216.39 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbutan-2-ylsulfanylmethyl)oxane is sourced from PubChem (CID 90863701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).