ethane;5-methyl-1,3-oxathiane

C7H16OS — CID 91312031

IUPACethane;5-methyl-1,3-oxathiane
SMILESCC.CC1COCSC1
InChIInChI=1S/C5H10OS.C2H6/c1-5-2-6-4-7-3-5;1-2/h5H,2-4H2,1H3;1-2H3
InChIKeyXMHNVRLUDYPAKT-UHFFFAOYSA-N
MW148.27 g/mol
LogP2.37
Rot. Bonds

About ethane;5-methyl-1,3-oxathiane

ethane;5-methyl-1,3-oxathiane (PubChem CID 91312031) has the molecular formula C7H16OS and a molecular weight of 148.27 g/mol. Its IUPAC name is ethane;5-methyl-1,3-oxathiane.

Molecular Properties

Compound Nameethane;5-methyl-1,3-oxathiane
PubChem CID91312031
Molecular FormulaC7H16OS
Molecular Weight148.27 g/mol
Exact Mass148.09
IUPAC Nameethane;5-methyl-1,3-oxathiane
SMILESCC.CC1COCSC1
InChIInChI=1S/C5H10OS.C2H6/c1-5-2-6-4-7-3-5;1-2/h5H,2-4H2,1H3;1-2H3
InChIKeyXMHNVRLUDYPAKT-UHFFFAOYSA-N
XLogP2.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Oxathiane
CID 542686
5-Methyl-1,3-oxathiane
CID 544309
5-Isopropyl-1,3-oxathiane
CID 12382465
Jmjgrbrvnkjamm-uhfffaoysa-
CID 21578782
4-Methyl-1,3-oxathiane
CID 54139805
5,5-Dimethyl-1,3-oxathiane
CID 67189713
1,3-Oxathiane, 2,5-dimethyl
CID 529078
1,3-Oxathiane, 2-(1-methylethyl)-
CID 568471
Trimethyl(1,3-oxathian-2-yl)plumbane
CID 12685889
2-Isopropyl-5-methyl-1,3-oxathiane
CID 544307
1,3-Oxathiane, 5,6-dimethyl-
CID 583265
(5S)-5-methyl-1,3-oxathiane
CID 642753

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1,3-oxathiane?
The IUPAC name of ethane;5-methyl-1,3-oxathiane (CID 91312031) is ethane;5-methyl-1,3-oxathiane.
What is the SMILES notation for ethane;5-methyl-1,3-oxathiane?
The canonical SMILES for ethane;5-methyl-1,3-oxathiane is CC.CC1COCSC1.
What is the InChIKey of ethane;5-methyl-1,3-oxathiane?
The InChIKey is XMHNVRLUDYPAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS.C2H6/c1-5-2-6-4-7-3-5;1-2/h5H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;5-methyl-1,3-oxathiane?
ethane;5-methyl-1,3-oxathiane has a molecular weight of 148.27 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1,3-oxathiane is sourced from PubChem (CID 91312031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).