8-methyl-1,4-oxathiocan-3-ol

C7H14O2S — CID 58183534

IUPAC8-methyl-1,4-oxathiocan-3-ol
SMILESCC1CCCSC(O)CO1
InChIInChI=1S/C7H14O2S/c1-6-3-2-4-10-7(8)5-9-6/h6-8H,2-5H2,1H3
InChIKeyMGSFLGLEAZOLPR-UHFFFAOYSA-N
MW162.25 g/mol
LogP1.24
Rot. Bonds

About 8-methyl-1,4-oxathiocan-3-ol

8-methyl-1,4-oxathiocan-3-ol (PubChem CID 58183534) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is 8-methyl-1,4-oxathiocan-3-ol.

Molecular Properties

Compound Name8-methyl-1,4-oxathiocan-3-ol
PubChem CID58183534
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name8-methyl-1,4-oxathiocan-3-ol
SMILESCC1CCCSC(O)CO1
InChIInChI=1S/C7H14O2S/c1-6-3-2-4-10-7(8)5-9-6/h6-8H,2-5H2,1H3
InChIKeyMGSFLGLEAZOLPR-UHFFFAOYSA-N
XLogP1.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 163498360
CID 163498360
2-methyloxirane;polane
CID 173240072
λ2-plumbane;2-methyloxirane
CID 173222692
8-methyl-1,3-oxazocane
CID 23397004
(5-methyloxolan-3-yl)-(thian-2-yl)methanone
CID 114825811
zinc;2-methyloxirane;dichloride
CID 21163562
magnesium;hydride;2-methyloxirane
CID 173126818
(2S)-2,5-dimethyl-1,4-dioxane
CID 6712981
2-methyloxirane;molecular iodine
CID 91277313
2-methyloxane;hydrochloride
CID 141105834
(1S,3S,7R,9S)-8-methyl-5,11-bis(thiolan-2-yl)-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol
CID 131974497
4-methyl-1,3-dioxonane
CID 68561619

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,4-oxathiocan-3-ol?
The IUPAC name of 8-methyl-1,4-oxathiocan-3-ol (CID 58183534) is 8-methyl-1,4-oxathiocan-3-ol.
What is the SMILES notation for 8-methyl-1,4-oxathiocan-3-ol?
The canonical SMILES for 8-methyl-1,4-oxathiocan-3-ol is CC1CCCSC(O)CO1.
What is the InChIKey of 8-methyl-1,4-oxathiocan-3-ol?
The InChIKey is MGSFLGLEAZOLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S/c1-6-3-2-4-10-7(8)5-9-6/h6-8H,2-5H2,1H3.
What are the key properties of 8-methyl-1,4-oxathiocan-3-ol?
8-methyl-1,4-oxathiocan-3-ol has a molecular weight of 162.25 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,4-oxathiocan-3-ol is sourced from PubChem (CID 58183534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).