2,3-dimethyl-1,4-oxathian-2-ol

C6H12O2S — CID 58183588

IUPAC2,3-dimethyl-1,4-oxathian-2-ol
SMILESCC1SCCOC1(C)O
InChIInChI=1S/C6H12O2S/c1-5-6(2,7)8-3-4-9-5/h5,7H,3-4H2,1-2H3
InChIKeyGQJZZSWGHHPFAK-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.85
Rot. Bonds

About 2,3-dimethyl-1,4-oxathian-2-ol

2,3-dimethyl-1,4-oxathian-2-ol (PubChem CID 58183588) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is 2,3-dimethyl-1,4-oxathian-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1,4-oxathian-2-ol
PubChem CID58183588
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name2,3-dimethyl-1,4-oxathian-2-ol
SMILESCC1SCCOC1(C)O
InChIInChI=1S/C6H12O2S/c1-5-6(2,7)8-3-4-9-5/h5,7H,3-4H2,1-2H3
InChIKeyGQJZZSWGHHPFAK-UHFFFAOYSA-N
XLogP0.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1,4-oxathian-3-ol
CID 58183622
(3S)-2-methyloxolane-2,3-diol
CID 134855830
(3S)-2-methyl-3-phosphanyloxyoxolan-2-ol
CID 118151835
CID 58183500
CID 58183500
2-methyl-3-(oxan-4-yl)thiolan-3-ol
CID 83819553
2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)thian-3-ol
CID 114622120
(2R,3S)-2,3-dimethyl-1,4-dithian-2-amine
CID 131218953
(2S)-2-tert-butyl-2-methyl-1,3-oxathiolane
CID 637784
2-methyl-2-(thian-2-yl)-1,3-oxazolidine
CID 117227319
(4aR,6S,8aR)-8a-methyl-6-prop-1-en-2-yl-3,4a,5,6,7,8-hexahydro-2H-benzo[b][1,4]oxathiine
CID 101418903
(5R,9R)-9-methyl-1-oxa-4-thiaspiro[4.4]nonan-9-ol
CID 15370555
(3'aR,6'S,6'aR)-3',6'-dimethylspiro[1,3-dithiolane-2,5'-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan]-3'-ol
CID 14570392

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,4-oxathian-2-ol?
The IUPAC name of 2,3-dimethyl-1,4-oxathian-2-ol (CID 58183588) is 2,3-dimethyl-1,4-oxathian-2-ol.
What is the SMILES notation for 2,3-dimethyl-1,4-oxathian-2-ol?
The canonical SMILES for 2,3-dimethyl-1,4-oxathian-2-ol is CC1SCCOC1(C)O.
What is the InChIKey of 2,3-dimethyl-1,4-oxathian-2-ol?
The InChIKey is GQJZZSWGHHPFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S/c1-5-6(2,7)8-3-4-9-5/h5,7H,3-4H2,1-2H3.
What are the key properties of 2,3-dimethyl-1,4-oxathian-2-ol?
2,3-dimethyl-1,4-oxathian-2-ol has a molecular weight of 148.23 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,4-oxathian-2-ol is sourced from PubChem (CID 58183588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).