2,5-dibutyl-1,4-oxathiane

C12H24OS — CID 19349494

IUPAC2,5-dibutyl-1,4-oxathiane
SMILESCCCCC1CSC(CCCC)CO1
InChIInChI=1S/C12H24OS/c1-3-5-7-11-10-14-12(9-13-11)8-6-4-2/h11-12H,3-10H2,1-2H3
InChIKeyRXKNWZPQKWLGFN-UHFFFAOYSA-N
MW216.39 g/mol
LogP3.87
Rot. Bonds6

About 2,5-dibutyl-1,4-oxathiane

2,5-dibutyl-1,4-oxathiane (PubChem CID 19349494) has the molecular formula C12H24OS and a molecular weight of 216.39 g/mol. Its IUPAC name is 2,5-dibutyl-1,4-oxathiane.

Molecular Properties

Compound Name2,5-dibutyl-1,4-oxathiane
PubChem CID19349494
Molecular FormulaC12H24OS
Molecular Weight216.39 g/mol
Exact Mass216.15
IUPAC Name2,5-dibutyl-1,4-oxathiane
SMILESCCCCC1CSC(CCCC)CO1
InChIInChI=1S/C12H24OS/c1-3-5-7-11-10-14-12(9-13-11)8-6-4-2/h11-12H,3-10H2,1-2H3
InChIKeyRXKNWZPQKWLGFN-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-butylthietane
CID 102085907
2-butyloxirane;trimethylsilane
CID 174652516
2-butyl-4-methyloxolane
CID 15370435
(2R)-2-pentyloxirane
CID 11147691
2,4-dipentyl-1,3-oxathiolane
CID 67811965
5-butylthiolan-3-amine
CID 144998009
2-tetratetracontyloxirane
CID 102093754
(2R)-2-octadecyloxirane
CID 98043533
2-tetradecyloxirane
CID 23741
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756

Frequently Asked Questions

What is the IUPAC name of 2,5-dibutyl-1,4-oxathiane?
The IUPAC name of 2,5-dibutyl-1,4-oxathiane (CID 19349494) is 2,5-dibutyl-1,4-oxathiane.
What is the SMILES notation for 2,5-dibutyl-1,4-oxathiane?
The canonical SMILES for 2,5-dibutyl-1,4-oxathiane is CCCCC1CSC(CCCC)CO1.
What is the InChIKey of 2,5-dibutyl-1,4-oxathiane?
The InChIKey is RXKNWZPQKWLGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OS/c1-3-5-7-11-10-14-12(9-13-11)8-6-4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 2,5-dibutyl-1,4-oxathiane?
2,5-dibutyl-1,4-oxathiane has a molecular weight of 216.39 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibutyl-1,4-oxathiane is sourced from PubChem (CID 19349494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).